TERT-DODECYLMERCAPTAN

Tert-Dodecylmercaptan = Tertiary Dodecyl Mercaptan = Tert-dodecyl mercaptan = Tert-Dodecanethiol = TDM

CAS Number: 25103-58-6
EC Number: 246-619-1
Molecular Weight: 202.40
Molecular Formula:C12H26S

Tert-Dodecylmercaptan (TDM) is the chemical compound with the formula C12H26S. 
Tert-Dodecylmercaptan is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries.

Tert-Dodecylmercaptan is compound from the group of thiols. 
Tert-Dodecylmercaptan is a mixture of isomers where the position of the thiol group varies. 
tert-Dodecylmercaptan is used predominantly as a molecular weight regulator in manufacturing of butadiene and styrene-based polymers.

Tert-Dodecylmercaptan, 97% Cas 25103-58-6 - used as a synthetic chemical. 
Tert-Dodecylmercaptan, 97% Cas 25103-58-6 - used primarily as a molecular weight regulator in polymerizations used, in particular for free-radical polymerizations of vinylic monomers such as of butadiene, styrene, carboxylated styrene, acrylic acid, acrylonitrile, acrylic esters, vinyl ethers or their mixtures, wherein particularly the emulsion in water.

Tert-Dodecylmercaptan (TDM) is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries. 
A gas chromatographic technique has been successfully developed for the measurement of Tert-Dodecylmercaptan based on its sulfur content for material identification, trend analysis, or for the monitoring of un-reacted residual material in final products. 

The method employs low thermal mass gas chromatography (LTM-GC) and a dual-plasma sulfur chemiluminescence detector (DP-SCD) to attain a high degree of sensitivity and selectivity. 
Using the technique described, a detection limit in the range of 0.5 ppm (v/v) Tert-Dodecylmercaptan and less than 1 min analysis time can be achieved. 

Response is linear over four orders of magnitude with high degree of repeatability of less than 5% RSD. 
In the process of manufacturing latex such as styrene-butadiene, a chain transfer agent is required. 

The chain transfer agent assists in the polymerization to make products of the desired molecular distribution. 
Previously, chlorinated compounds such as carbon tetrachloride and chloroform have been used for this application, but because of their toxicity and negative environmental effects, it is no longer a practice to employ said compounds for the manufacturing of latex used for the carpet and paper industries. Instead, use of Tert-Dodecylmercaptan (TDM) is preferred for the applications described. 
As a result of the world demand for latex and the magnitude of the associated industries, Tert-Dodecylmercaptan has become a chemical of industrial significance.

By Application of Tert-Dodecylmercaptan:
-Packaging & Paper
-Coatings & Adhesives
-Automotive & Transportation
-Chemical & Plastics

Physical and Chemical Properties of Tert-Dodecylmercaptan:    
Tert-Dodecylmercaptan is a colorless to pale yellow viscous liquid. 
Freezing point -7 ℃, boiling point 227-248 ℃,165-166 ℃(5.19kPa), relative density 0.8450(20/20 ℃), refractive index 1.4589, flash point 90 ℃. 
Tert-Dodecylmercaptan is soluble in methanol, ether, acetone, benzene, gasoline and acetate, insoluble in water.

Uses of Tert-Dodecylmercaptan:
Is the best relative molecular weight regulator and chain transfer agent in the polymerization process of Styrene Butadiene Rubber, Nitrile Rubber, synthetic resin and so on.

Highlights of Tert-Dodecylmercaptan:
-Tert-Dodecylmercaptan is an effective collector for sphalerite with less CuSO4 and without frother.
-Tert-Dodecylmercaptan chemisorbs on the minerals surface.
-Adsorption modes of Tert-Dodecylmercaptan on mineral surfaces are obtained by first-principle study.
-Absorption energies of Tert-Dodecylmercaptan on ZnS (110) and FeS2 (100) are ⿿394.78, ⿿219.33 kJ/mol.
-Reactions happen between S 3p orbital of Tert-Dodecylmercaptan and 3d of Zn/Fe orbital of minerals.

In the flotation of sphalerite, the concomitant flotation of sulfidic (pyrite) and nonsulfidic gangue (silica) minerals significantly reduces the grade of the float concentrate. 
Laboratory scale experiments have been conducted to investigate the effect of Tert-Dodecylmercaptan (TDM) as a collector on the flotation of sphalerite. 

The addition of only 160 g/t copper sulfate, which is ⿼30% of that which is being used currently in the xanthate reagent scheme, improves the grade and the recovery.
The selectivity for sphalerite, with respect to pyrite, has been improved significantly when copper sulfate is added with lime as the depressant, and the results could be achieved at pH 9-10.5.

Based on the results obtained, the interaction of Tert-Dodecylmercaptan with sphalerite has been investigated by adsorption measurement, fourier transform infrared (FTIR) and density functional theory (DFT). 
It is showed that, Tert-Dodecylmercaptan adsorbed on sphalerite surface chemically with some characteristic peaks appeared and migrated on sphalerite surface in FTIR tests. 

Compared with butyl xanthate, a stronger interaction between Tert-Dodecylmercaptan and sphalerite is determined by analyses of frontier orbital energy calculation. 
It is also indicated that, by adsorption energy calculation, a strong interaction between Tert-Dodecylmercaptan and ZnS (110) surface occurs, with the energy ⿿394.78 kJ/mol. 

The S 3p orbital on Tert-Dodecylmercaptan interacted strongly with Zn 3d orbital on ZnS (110) surface, and electrons transferred from the Zn atom to the O atom, which resulted in a positive coordinate bond formed. 
Tertiary dodecyl mercaptan or Tert-Dodecylmercaptan is a combination of isometric thiols obtained from oligomers of isobutylene trimer or propylene tetramer. 

Manufacturers pick one of these two and mix it with hydrogen sulfide, then pass the mixture over a catalyst like boron trifluoride to produce Tert-Dodecylmercaptan. 
Tert-Dodecylmercaptan has recently become a significant industrial chemical because of its use as a chain transfer agent in the manufacture of latex. 

As an agent, Tert-Dodecylmercaptan helps in the polymerization of the end products. 
This role used to be given to chloroform, carbon tetrachloride, and other compounds of chlorine. 

However, their toxicity and negative ecological impact made the industry look for alternatives. 
This chemical also goes by the following names: tert-Dodecyl mercaptan, TERT-DODECANETHIOL, t-Dodecanethiol, Sulfole 120, tert-Dodecylthiol, CCRIS 6030, and t-DDM. 

Tert-Dodecylmercaptan is used as an intermediate, as a process regulator, and as an additive to lubricants. 
Tert-Dodecylmercaptan appears as a colorless liquid with a repulsive odor.

Product overview:
TDM (Tertiary Dodecyl Mercaptan) is commonly used in the manufacturing process of polymers based on butadiene and styrene (SB latex, SB rubber, ABS...)

Properties of Tert-Dodecylmercaptan:
Density (20°C): 858 kg/m3
Viscosity (20 °C): 36 mPa.s (cP)
Flash point (closed cup): 97 °C
Vapour pressure (20°C): 0.03 mbar (hPa)
Vapour pressure (50°C): 0.8 mbar (hPa)
Refractive index (20°C): 1.461
Boiling point: 233°C
Melting point < -30°C
Decomposition temperature: 350°C

Tert-Dodecylmercaptan (TDM) is commonly used as a chain transfer agent in the manufacturing process of styrene/butadiene latex for use in carpet and paper industries. 

KEYWORDS:
25103-58-6, 246-619-1, Tert-dodecyl mercaptan, TDM, dodecanethioltertiaire, sulfole120, 4-Heptanethiol 2 2 4 6 6-pentamethyl-, MFCD00043233, 2-methylundecane-2-thiol, Thiol alkyl C11-C13 Branched C12

Tertiary Dodecyl Mercaptan (tert-dodecyl mercaptan, TDM) is a transitional ‘existing’ substance which was discussed by the former EU PBT Working Group on a number of occasions . 

SOLUBILITY of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is not soluble in water, slightly soluble in light alcohols and soluble in styrene and most organic solvents.

Preparation of Tert-Dodecylmercaptan by the reaction of hydrogen sulfide with tri-n-butene in the presence of a catalyst. 
An independent claim is also included for the use of Tert-Dodecylmercaptan.

Introduction to Tert-Dodecylmercaptan:
Overview:
Styldecyl mercaptan is one of the important varieties of mercaptan series products. 
Tert-Dodecylmercaptan is mainly used to adjust the molecular weight during the preparation of styrene-butadiene rubber, ABS resin and nitrile rubber, which can effectively reduce the branching degree of the polymer chain and make the molecular weight distribution Uniform; in addition, Tert-Dodecylmercaptan can also be used as a stabilizer and antioxidant for the production of polyolefins such as polyvinyl chloride, polyethylene, and polypropylene; it can also be used to synthesize non-ionic surfactants, organic chemicals, fungicides, pesticides, lubricating oil additives, oilfield chemicals and medicines.

APPLICATION of Tert-Dodecylmercaptan:
Styldecyl mercaptan, colorless or pale yellow liquid. 
Tert-Dodecylmercaptan can be used as a polymerization regulator for synthetic rubber, synthetic fiber, and synthetic resin; it is also used to produce polyvinyl chloride stabilizers, drugs, pesticides, fungicides, detergents, etc.

Preparation of Tert-Dodecylmercaptan:
12 grams of water and 40 grams of dodecene were introduced into the plant through a funnel. 
After the factory is sealed, the reaction mixing pump is put into operation (speed: 2800min-1), and then the entire pumping cycle system (including the pump head) manufactured in the jacket design is restored to the initial temperature. 

The reaction is started by gradually injecting the first 10 bar of carbon dioxide, and then gradually injecting 20 bar of hydrogen sulfide gas to a total pressure of about 30°C. 31 bar. 
During the experiment, the H2S feed of the reactor system was kept open so that the amount of reacted hydrogen sulfide could be replenished into the reaction system. 

During the next 2 hours, the mixture was uniformly heated to 60°C. 
After another 3 hours, all dissolved gas components are removed from the biphasic liquid sample by decompressing at the discharge valve and further heating to 100°C. 
The composition of the organic liquid phase (upper phase) is analyzed by gas chromatography, and it is possible to distinguish the reactants (olefins), the main products (tert-dodecyl mercaptan), and the minor components (thioethers).

PRODUCT:
Tert-Dodecylmercaptan

CAS #:
25103-58-6

SYNONYM:
t-Dodecyl mercaptan;t-Dodecanethiol; t-Dodecylthiol; 2,3,3,4,4,5-Hexamethyl-2-hexanethiol; TDM

FORMULA:
C9H19CSH(CH3)2

Uses of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a polymerization regulator for synthetic rubber, synthetic resin, and synthetic fiber. 
Tert-Dodecylmercaptan is especially commonly used in the manufacture of styrene-butadiene rubber and ABS resin. 

Tert-Dodecylmercaptan can reduce the branching degree of polymer chains and make the molecular weight distribution uniform. 
Tert-Dodecylmercaptan is often used as an intermediate for non-ionic surfactants and organic synthesis. 

Tert-Dodecylmercaptan is used to make fungicides, pesticides, rust inhibitors, lubricating oil additives, drugs, etc. 
Tert-Dodecylmercaptan can also be used as "golden water" and oil well acidifier in the ceramic industry.
Tert-Dodecylmercaptan is the best relative molecular mass regulator and chain transfer agent in the polymerization process of styrene-butadiene rubber, nitrile rubber, synthetic resin, etc.

Production method of Tert-Dodecylmercaptan:
The dienes [112-41-4] obtained by propylene tetropolymerization react with hydrogen sulfide at about 20 ℃ for 2 hours in the presence of aluminum trichloride catalyst. 
The dosage of hydrogen sulfide is 1.5 times that of dienes according to molar ratio, and the dosage of aluminum trichloride is 2.5% to that of dienes. 

The reaction product is separated, pickled, washed with hot water, and dried to obtain tert. 
Hydrogen sulfide in production can occur by the interaction of saturated sodium sulfide solution with 20% sulfuric acid. 
Raw material consumption quota: crude decene (boiling range 180-208 ℃)1100kg/t, aluminum trichloride 123kg/t, sodium sulfide (60%)1220kg/t, sulfuric acid (92.5%)1270kg/t.

TYPICAL PRODUCT SPECIFICATIONS of Tert-Dodecylmercaptan:
NOTES about Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan uses and applications include: Chain transfer agent in SB and nitrile rubber production; modifier in polymerization reactions, especially for SBR, NBR; reducing initiator; in food packaging adhesives

CLASS:
Specialty Chemicals 

INDUSTRY:
Adhesives,  Rubber 

Synonym(s):
tert-Dodecanethiol

Linear Formula:
C12H25SH

CAS Number:
25103-58-6

Molecular Weight:
202.40

Beilstein:
1738382

EC Number:
246-619-1

The kinetic of consumption of Tert-Dodecylmercaptan (TDM) in emulsion polymerization of chloroprene in the presence of various amounts of sulphur have been studied. 
Tert-Dodecylmercaptan is shown that during the entire course of polymerization of chloroprene the relative rate of consumption of TDM increases as the concentration of sulphur, the second regulator, is increased. 

Increase in the degree of conversion and decrease in the concentration of sulphur cause an increase in the molecular weight and in the breadth of the molecular weight distribution of the polymer. 
A molecular mechanism of control of the MWD and average molecular weight of polychloroprene by this combined regulator system is proposed.

CAS No.: 25103-58-6
Chemical Name: tert-dodecylthiol
Synonyms: TDM;Dodecanethiol;TERT-DODECANETHIOL;TERT-DODECYL MERCAPTAN;T-DODECANETHIOL;2,3,3,4,4,5-Hexamethyl-2-hexanethiol;tert-Dodecanet;dodecanethioltertiaire;Tert-Dodecyl Mercaptane;tert-Dodecylmercaptan (mixture of isomers)
CBNumber: CB7423916
Molecular Formula: C12H26S
Molecular Weight: 202.4
MDL Number: MFCD00043233
MOL File: 25103-58-6.mol
Modify Date: 2022-11-11 11:01:00

General Description of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a clear white to pale yellow liquid with a repulsive odor.
Tert-Dodecylmercaptan (TDM) is colorless oil liquid, and diffuses foul smell. 

Tert-Dodecylmercaptan is insoluble in water, soluble in alcohol, ether, acetone, benzene, gasoline and other organic solvents and esters. 
Tert-Dodecylmercaptan is mainly used as molecular weight modifier.

Air & Water Reactions of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is sensitive to moisture. 
Tert-Dodecylmercaptan is sensitive to prolonged exposure to air. 
Tert-Dodecylmercaptan is insoluble in water.

Reactivity Profile of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. 
Tert-Dodecylmercaptan generate heat and in many cases hydrogen gas and possibly hydrogen sulfide with these materials. 

Tert-Dodecylmercaptan may liberate hydrogen sulfide upon decomposition or reaction with an acid. 
Tert-Dodecylmercaptan is incompatible with oxygen.

Tert-Dodecylmercaptan is incompatible with strong oxidizing agents. 
Tert-Dodecylmercaptan may be sensitive to heat.

Fire Hazard of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is combustible.

Safety Profile of Tert-Dodecylmercaptan:
Poison by ingestion. 
Tert-Dodecylmercaptan is moderately toxic by intraperitoneal route. 

Tert-Dodecylmercaptan is a skin and eye irritant. 
Tert-Dodecylmercaptan is combustible when exposed to heat or flame; can react vigorously with oxidizing materials. 

To fight fire, use foam, Con, dry chemical. 
When Tert-Dodecylmercaptan is heated to decomposition it emitstoxic fumes of SOx,.

Introduction to Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a polymerization regulator of synthetic rubber, synthetic resin and synthetic fiber, especially commonly used in the manufacture of styrene-butadiene rubber and ABS resin.

Properties of Tert-Dodecylmercaptan:
Structural Formula: C12H25SH
CAS 25103-58-6
Synonym: tert-Dodecyl mercaptan, T-Dodecyl Mercaptan, tert-Dodecanethiol

Specifications of Tert-Dodecylmercaptan:
Colorless oily liquid, foul odor, freezing point: -7 °C,
boiling point: 200-235 °C (atmospheric pressure), 165-166 °C (5199, 5Pa),
explosion range: 0.7-9.1% (V/V),
flash point: 129 °C,
viscosity: 5.3 centipoise,
specific gravity: d20/40.854

Tert-Dodecylmercaptan is insoluble in water, soluble in ethanol, ether, acetone, benzene, gasoline and esters and other organic solvents.

appearance: colorless or light yellow liquid
purity, %: ≥ 98.0
refractive index, n20/D: 1.4526~1.4600
density at 25 °C, g/ml: 0.845~0.860
boiling point, °C:230-238
Flashpoint, °F: >230Solubility

Applications of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a polymerization regulator of synthetic rubber, synthetic resin and synthetic fiber, especially commonly used in the manufacture of styrene-butadiene rubber and ABS resin, which can reduce the branching degree of the polymer chain and make the molecular weight distribution uniform, often used as a nonionic surfactant and an intermediate in organic synthesis. 
Tert-Dodecylmercaptan is used in the manufacture of fungicides, insecticides, rust inhibitors, lubricating oil additives, drugs, etc. 

Tert-Dodecylmercaptan can also be used as “gold water” in the ceramic industry and an acidifier for oil wells.
Tert-Dodecylmercaptan (25103-58-6) is an intermediate in organic synthesis, used to manufacture drugs, pesticides, fungicides, rust inhibitors, lubricant additives, etc., and can also be used as “gold water” in the ceramic industry. 

Tert-Dodecylmercaptan is a relative molecular mass adjuster for the polymerization of synthetic rubber, synthetic resin, and synthetic fiber, especially in the synthesis of styrene-butadiene rubber and ABS resin by emulsion polymerization, which can reduce the branching degree of polymer molecular chains and make the relative molecular mass distribution uniform.
Tert-Dodecylmercaptan is the best relative molecular mass regulator and chain transfer agent in polymerization processes such as styrene-butadiene rubber, nitrile rubber, and synthetic resin.

Storage of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan has strong reducibility, wear labor protection when using, and operates in a fume hood. 
During storage, leakage must be strictly prohibited, Tert-Dodecylmercaptan is stored in a cool, dry, well-ventilated non-combustible material structure warehouse, and a small number of products can be stored at low temperatures. 

Keep Tert-Dodecylmercaptan away from heat and open flames, especially direct sunlight. 
Isolated storage and transportation with oxidants, combustibles and strong acids.

Tert-Dodecylmercaptan Properties:
Melting point: -7.5°C
Boiling point: 227-248 °C (lit.)
Density: 0.86 g/mL at 20 °C (lit.)
vapor pressure: 1.33 hPa (25.5 °C)
refractive index: 1.4486 (estimate)
Flash point: 195 °F
storage temp.: Store below +30°C.
solubility: <0.1g/l
form: clear liquid
color: Colorless to Almost colorless
Viscosity: 3.77mm2/s
Water Solubility: <0.1 g/100 mL at 23 ºC
BRN: 1738382
InChIKey: CXUHLUIXDGOURI-UHFFFAOYSA-N
LogP: 7.43 at 20℃
CAS DataBase Reference: 25103-58-6(CAS DataBase Reference)
Indirect Additives used in Food Contact Substances: TERT-DODECYLMERCAPTAN
FDA 21 CFR: 175.105
EWG's Food Scores: 2
FDA UNII: G00MDQ58TB
EPA Substance Registry System: tert-Dodecanethiol (25103-58-6)

Appearance of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a clear white to pale yellow liquid with a repulsive odor.

Synonyms:
dodecanethioltertiaire; sulfole120; t-ddm; terc.dodecylmerkaptan; 2,3,3,4,4,5-Hexamethyl-2-hexanethiol; tert-dodecylthiol

Storage of Tert-Dodecylmercaptan: 
Keep Tert-Dodecylmercaptan in a cool, dry, dark location in a tightly sealed container or cylinder. 
Keep Tert-Dodecylmercaptan away from incompatible materials, ignition sources and untrained individuals. 

Secure and label area. 
Protect Tert-Dodecylmercaptan containers/cylinders from physical damage.

PROPERTIES of Tert-Dodecylmercaptan:
Categories:
Organic building blocks,Sulphur compounds

Assay:
98.5%

Appearance (Form):
Liquid

Appearance (Colour):
Clear water white

Mercaptan Sulphur content:
15.7

Boling point:
227-248 °C(lit.)

Density:
0.86 g/mL at 20 °C(lit.)

Description of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is polymerization regulator of synthetic rubber, resin and synthetic fiber, particularly used in the manufacturing of styrene-butadiene rubber and ABS resin, because it can reduce the degree of branching of the polymer chain and make molecular weight distribution uniformly. 
Tert-Dodecylmercaptan is also commonly used for non-ionic surfactants agents and intermediates of organic synthesis.

Chemical Properties of Tert-Dodecylmercaptan:
Appearance    : Clear White To Pale Yellow Liquid
Boiling Point: 227-248 °C
CAS Number: 25103-58-6
Density: 0.86 g/mL
EINECS Number: 246-619-1
HS Code: 29309070
IUPAC Name: 2,3,3,4,4,5-Hexamethyl-2-hexanethiol
InChI: 1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3
InChIKey: YAJYJWXEWKRTPO-UHFFFAOYSA-N
Melting Point: -7.5 °C
Molar Mass: 202.4 g/mol
Molecular Formula: C12H26S
RTECS Number: JR3150000
Refractive: 1.454 n/D
Solubility: Insoluble
Synonyms: tert-Dodecylmercaptan;Sulfole 120;t-DDM;tert-Dodecyl Thiol;tert-Lauryl Mercaptan;2,3,3,4,4,5-Hexamethyl-2-hexanethiol;2,3,3,4,4,5-Hexamethylhexane-2-thiol;tert-Dodecylthiol;Tertiary Dodecyl Mercaptan;tert-Dodecyl Mercaptan;tert-Dodecanethiol;Tertiary Dodecyl Mercaptan;Tert Dodecyl Mercaptan

Physicochemical Information of Tert-Dodecylmercaptan:
Boiling point: 233 °C (1013 hPa)
Density: 0.856 g/cm3 (20 °C)
Flash point: 98 °C
Ignition temperature: 350 °C
Melting Point: -45 °C
Vapor pressure: 1.33 hPa (25.5 °C)
Solubility: <0.1 g/l

Information about Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is registered under the REACH Regulation and is manufactured in and / or imported to the European Economic Area, at ≥ 10 000 to < 100 000 tonnes per annum.
Tert-Dodecylmercaptan is used in formulation or re-packing, at industrial sites and in manufacturing.

Consumer Uses of Tert-Dodecylmercaptan:
ECHA has no public registered data indicating whether or in which chemical products Tert-Dodecylmercaptan might be used. 
ECHA has no public registered data on the routes by which Tert-Dodecylmercaptan is most likely to be released to the environment.

Article service life
ECHA has no public registered data on the routes by which Tert-Dodecylmercaptan is most likely to be released to the environment. 
ECHA has no public registered data indicating whether or into which articles Tert-Dodecylmercaptan might have been processed.

Widespread uses by professional workers of Tert-Dodecylmercaptan:
ECHA has no public registered data indicating whether or in which chemical products Tert-Dodecylmercaptan might be used. 
ECHA has no public registered data on the types of manufacture using Tert-Dodecylmercaptan. 
ECHA has no public registered data on the routes by which Tert-Dodecylmercaptan is most likely to be released to the environment.

Formulation or re-packing of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is used in the following products: polymers and pH regulators and water treatment products.
Tert-Dodecylmercaptan has an industrial use resulting in manufacture of another substance (use of intermediates).
Release to the environment of Tert-Dodecylmercaptan can occur from industrial use: formulation of mixtures.

Uses at industrial sites of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is used in the following products: polymers and pH regulators and water treatment products.
Tert-Dodecylmercaptan has an industrial use resulting in manufacture of another substance (use of intermediates).
Tert-Dodecylmercaptan is used in the following areas: mining.
Tert-Dodecylmercaptan is used for the manufacture of: chemicals, and rubber products.
Release to the environment of Tert-Dodecylmercaptan can occur from industrial use: as an intermediate step in further manufacturing of another substance (use of intermediates), as processing aid, in processing aids at industrial sites and as processing aid.

Manufacture of Tert-Dodecylmercaptan:
Release to the environment of Tert-Dodecylmercaptan can occur from industrial use: manufacturing of the substance.

Specification Test Results of Tert-Dodecylmercaptan:
Solubility: 0.025 g/l (20 °C)
Melting Point: -45 °C
Molar Mass: 202.4 g/mol
Boiling Point: 233 °C
Vapor Pressure: 1.33 hPa (25.5 °C)
Flash Point: 98 °C
Density: 0.856 g/cm3 (20 °C)
Ignition Point: 350 °C

Agent Name:
tert-Dodecylmercaptan

Alternative Name:
tert-Dodecanethiol

CAS Number:
25103-58-6

Formula:
C12-H26-S

Major Category:
Other Classes

Synonyms:
2,3,3,4,4,5-Hexamethyl-2-hexanethiol; Sulfole 120; t-DDM; terc.Dodecylmerkaptan [Czech]; 
tert-Dodecylthiol; t-Dodecanethiol; tert-Dodecanethiol; tert-Dodecyl mercaptan; [ChemIDplus] t-Dodecylmercaptan; 
tert-Dodecyl thiol; tert-Lauryl mercaptan; [CAMEO] Tert-dodecanethiol; 
TERTIARY DODECYLMERCAPTAN; TDM; [IUCLID] UN3082

Category:
Thiols

Description of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is a clear white to light yellow liquid with a repulsive odor.
Tert-Dodecylmercaptan is a clear light brown liquid with a stench.

Sources/Uses of Tert-Dodecylmercaptan:
Tert-Dodecylmercaptan is used in the polymers industry and as a process regulator.
Tert-Dodecylmercaptan is used to make large scale and fine chemicals, rubber products, processing aids (i.e. pH regulators, flocculants, and precipitants), polymers, lubricants, and in mining.

Comments:
Tert-Dodecylmercaptan is a moderate skin and mild eye irritant. 
Tert-Dodecylmercaptan is a mild skin and eye irritant.
Tert-Dodecylmercaptan is an irritant.
Tert-Dodecylmercaptan may cause skin sensitization.
Tert-Dodecylmercaptan is a skin and strong eye irritant.

Specifications of Tert-Dodecylmercaptan:
Color: Yellow
UN Number: 3082
Formula Weight: 202.40
Physical Form: Clear Liquid at 20°C
Percent Purity: ≥98.0% (T)
Chemical Name or Material: tert-Dodecyl Mercaptan (mixture of isomers)

Features of Tert-Dodecylmercaptan:
-Optimum composition
-Safe uses
-Longer shelf life

PROPERTIES of Tert-Dodecylmercaptan:
bp:
227-248 °C (lit.)

density:
0.86 g/mL at 20 °C (lit.)

InChI:
1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3

InChI key:
YAJYJWXEWKRTPO-UHFFFAOYSA-N

Purity: >98.0%(T)

Product Number: D0971
Purity / Analysis Method: >98.0%(T)
Molecular Formula / Molecular Weight: C12H26S = 202.40 
Physical State (20 deg.C): Liquid
CAS RN: 25103-58-6
PubChem Substance ID:87567557
MDL Number: MFCD00043233

Synonyms:
tert-Dodecanethiol (mixture of isomers)
tert-Lauryl Mercaptan (mixture of isomers)

Molecular Weight: 202.40     
XLogP3-AA: 4.8     
Hydrogen Bond Donor Count: 1     
Hydrogen Bond Acceptor Count: 1     
Rotatable Bond Count: 3     
Exact Mass: 202.17552200     
Monoisotopic Mass: 202.17552200     
Topological Polar Surface Area: 1 Ų     
Heavy Atom Count: 13     
Formal Charge: 0 
Complexity: 176     
Isotope Atom Count: 0 
Defined Atom Stereocenter Count: 0     
Undefined Atom Stereocenter Count: 0     
Defined Bond Stereocenter Count: 0 
Undefined Bond Stereocenter Count: 0     
Covalently-Bonded Unit Count: 1     
Compound Is Canonicalized: Yes     

TERT-DODECANETHIOL
tert-Dodecyl mercaptan
t-Dodecanethiol
Sulfole 120
t-DDM
2,3,3,4,4,5-hexamethylhexane-2-thiol
t-Dodecylmercaptan
G00MDQ58TB
NCGC00091163-03
CCRIS 6030
tert-Lauryl Mercaptan
terc.Dodecylmerkaptan [Czech]
2,3,3,4,4,5-Hexamethyl-2-hexanethiol
EINECS 246-619-1
terc.Dodecylmerkaptan
BRN 1738382
TERT-DODECYL THIOL
DSSTox_CID_5221
T-DODECYL MERCAPTAN
UNII-G00MDQ58TB
DSSTox_RID_77707
DSSTox_GSID_25221
SCHEMBL3332338
CHEMBL1325985
DTXSID1025221
Tox21_400018
AKOS015900250
n-(2-chloroethyl)-n-(3-pyridinyl)urea
NCGC00091163-01
NCGC00091163-02
NCGC00091163-04
CAS-25103-58-6
EC 246-619-1
3-01-00-01794 (Beilstein Handbook Reference)
Q2405872
tert-dodecanethiol
tert-dodecyl mercaptan
tert-dodecylmercaptan
tert-dodecylthiol
2,3,3,4,4,5-    hexamethyl-2-hexanethiol
2,3,3,4,4,5-    hexamethylhexane-2-thiol
2-hexanethiol, 2,3,3,4,4,5-hexamethyl-
2,4,4,6,6-pentamethyl heptane-2-thiol
2,4,4,6,6-pentamethyl-2-heptane thiol
2,4,4,6,6-pentamethyl-2-heptanethiol
t-dodecanethiol
2,2,4,6,6-Pentamethyl-4-heptanethiol [ACD/IUPAC Name]
2,2,4,6,6-Pentaméthyl-4-heptanethiol [French] [ACD/IUPAC Name]
2,2,4,6,6-Pentamethyl-4-heptanthiol [German] [ACD/IUPAC Name]
2,2,4,6,6-Pentamethylheptane-4-thiol
25103-58-6 [RN]
296-714-7 [EINECS]
4-Heptanethiol, 2,2,4,6,6-pentamethyl- [ACD/Index Name]
MFCD00043233 [MDL number]
tert-Dodecylmercaptan
tert-Dodecanethiol
tert-Dodecanethiol (mixture of isomers)
TERT-DODECYL MERCAPTAN
tert-dodecylthiol

Regulatory process names:
tert-dodecanethiol
tert-dodecanethiol

CAS names:
tert-Dodecanethiol

IUPAC names:
2,3,3,4,4,5-hexamethylhexane-2-thiol
2-methylundecane-2-thiol
dodecane-1-thiol
Dodecyl mercaptan
TDM
TDM (tert-Dodecyl Mercaptan)
tert-Dodecanethiol
tert-dodecanethiol
Tert-Dodecanethiol
tert-Dodecanethiol
tert-Dodecanthiol
tert-Dodecyl mercaptan
tert-Dodecyl Mercaptan (mixture of isomers)
Thiol, alkyl C11-C13 Branched, C12 Rich

Trade names:
TDM (tert-Dodecyl Mercaptan)
tert-Dodecanethiol
tert-Dodecyl Thiol

Other identifiers:
119147-91-0
1971112-70-5
25103-58-6
90501-34-1

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