UNDECYL ALCOHOL (UNDECANOL)

Undecyl alcohol = 1-undecanol = Undecan-1-ol = Undecanol = Hendecanol

CAS number: 112-42-5
EC number: 203-970-5
Hill Formula: C₁₁H₂₄O
Chemical formula: CH₃(CH₂)₁₀OH
Molar Mass: 172.31 g/mol

Undecyl alcohol (Undecanol), also known by its IUPAC name 1-undecanol or undecan-1-ol, and by its trivial name hendecanol, is a fatty alcohol.
Undecyl alcohol (Undecanol) is a colorless, water-insoluble liquid of melting point 19 °C and boiling point 243 °C.

Industrial uses and production of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) has a floral citrus like odor, and a fatty taste and is used as a flavoring ingredient in foods.
Undecyl alcohol (Undecanol) is commonly produced by the reduction of undecanal, the analogous aldehyde.

Natural occurrence of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is found naturally in many foods such as fruits (including apples and bananas), butter, eggs and cooked pork.

Physical Description of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) appears as a water-white liquid with a mild odor.
Flash point of Undecyl alcohol (Undecanol) is 250 °F.

Undecyl alcohol (Undecanol) is slightly soluble in water.
Undecyl alcohol (Undecanol) is considered a marine pollutant by DOT.

Immediate steps should be taken to limit Undecyl alcohols (Undecanol) spread to the environment.
As a liquid Undecyl alcohol (Undecanol) can easily penetrate the soil and contaminate groundwater or streams.
Undecyl alcohol (Undecanol) is mildly irritating to both the eyes and skin.

Toxicity of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) can irritate the skin, eyes and lungs.
Ingestion of Undecyl alcohol (Undecanol) can be harmful, with the approximate toxicity of ethanol.

Preferred IUPAC name:
Undecan-1-ol

Other names:
Undecanol, 1-Undecanol, Undecyl alcohol, 1-Hendecanol

Identifiers of Undecyl alcohol (Undecanol):
CAS Number: 112-42-5
CHEBI: 87499
ChEMBL: ChEMBL444525
ChemSpider: 7892
ECHA InfoCard: 100.003.609
PubChem CID: 8184
UNII: 06MJ0P28T3
CompTox Dashboard (EPA): DTXSID0026915

Applications of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) can be used as a precursor in the synthesis of undecanal by chemoselective oxidation using a fluorous derivative of TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl) radical as a catalyst.
Undecyl alcohol (Undecanol) can be also used as a solvent in homogeneous liquid-liquid microextraction method.

Description of Undecyl alcohol (Undecanol):
Catalogue Number: 808468
Synonyms: Undecyl alcohol
Description: 1-Undecanol

Undecyl alcohol (Undecanol), also known as 1-Undecanol or 1-Hendecanol, is a fatty alcohol which can be found in foods like fruits, eggs, and cooked pork.
Ungraded products supplied by TCI America are generally suitable for common industrial uses or for research purposes but typically are not suitable for human consumption or therapeutic use.

Product Information of Undecyl alcohol (Undecanol):
CAS number: 112-42-5
EC number: 203-970-5
Hill Formula: C₁₁H₂₄O
Chemical formula: CH₃(CH₂)₁₀OH
Molar Mass: 172.31 g/mol
HS Code: 2905 19 00

Physical State :Liquid
Storage :Store at 4° C
Melting Point :11° C (lit.)
Boiling Point :146° C (lit.) at 30 mmHg
Density :0.83 g/cm3 at 25° C

Physicochemical Information of Undecyl alcohol (Undecanol):
Density: 0.83 g/cm3 (20 °C)
Flash point: 108 °C
Melting Point: 16 °C
Vapor pressure: <1 hPa (20 °C)
Viscosity kinematic: 20.03 mm2/s (20 °C)
Solubility: 0.0057 g/l insoluble

Undecyl alcohol, also known by its IUPAC name 1-undecanol or undecan-1-ol, and by its trivial name hendecanol, is a fatty alcohol.

KEYWORDS:
112-42-5, 203-970-5, Hendecanol, Undecan-1-ol, Undecanol, -Undecanol, SCHEMBL20655, n-C11H23OH, Undecyl alcohol 97% FG, 4-01-00-01835

Description of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol), also known as N-undecyl alcohol or undecan-1-ol, belongs to the class of organic compounds known as fatty alcohols.
These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Thus, Undecyl alcohol (Undecanol) is considered to be a fatty alcohol lipid molecule.
Undecyl alcohol (Undecanol) is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.

Undecyl alcohol (Undecanol) is a colorless, water-insoluble liquid.
Undecyl alcohol (Undecanol) has a floral citrus like odor, and a fatty taste and is used as a flavoring ingredient in foods.

Undecyl alcohol (Undecanol) can be found in fruits including apples and bananas.
Undecyl alcohol (Undecanol) is commonly produced by the reduction of 1-undecanal, the analogous aldehyde.

Background of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol), being an organic chemical with molecular formula C11H24O and scented with lemon, is a colorless or pale yellow , water insoluble but alcohol and ether soluble liquid.
Undecyl alcohol (Undecanol) is prepared from metal sodium reduction of Ethyl undecanoate, or pressurization and catalytic hydrogenation of ethyl ω- undecanoate , or even obtained by the Grignard reaction of nonyl magnesium bromide and with ethylene oxide.

The application of Undecyl alcohol (Undecanol) is limited.
Undecyl alcohol (Undecanol) is only used for some typical aroma oil and fragrance as the fat is solid at low temperature.

The citrus rose type and the like only play a secondary and harmonious role and are taken as deodorant.
In addition, Undecyl alcohol (Undecanol) is also used to manufacture spices with the scent of acacia, polianthes tuberosa and the like.

Chemical Properties of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is colorless liquid at room temperature; scented with light sweet fat wax mixed with the scent of roses and fruity flavor of citrus, pineapple and the like.
But generally the whole body smells scent of rose, as if a little bit of rue flavor.

Undecyl alcohol (Undecanol) will smell like orange after highly diluted with the soft sweet flavor of citrus fruit oil.
Undecyl alcohols (Undecanol) concentration is less than 20 × 10-6 with fruity and sweet scent.
Unpleasant fat and smell will be produced when the concentration is higher; Melting point :15 ~ 19 ℃; Flash point> 82 ℃; Density: D4250 .828 ~ 0.834; Refractive index: nD200.4370 ~ 1.4430; water insoluble, soluble in most organic solvents, 1: 4.soluble in 60% ethanol

Preparation of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is prepared from undecaethylene reduction.
Put 200 ml of anhydrous toluene and 70 g of sodium into a 5-liter three-necked flask, and then heat reflux it until sodium is completely melted.

Then stop heating, stir quickly to get the sodium to disperse into sand until the temperature drops to 60 ~ C.
Then put 107 grams of ethyl undecanoate into 150ml absolute ethanol solution followed by adding 500ml of absolute ethanol.

When the reaction is weakened, heat it in an oil bath until the sodium is completely dissolved.
Next remove the ethanol and toluene through the method of steam distillation.

Then wash the remaining oily substances with 200ml × 3 hot water.
Then wash ether layer with a sequence of water, sodium carbonate and then water after the ethyl ether was extracted.

Also dry with magnesium sulfate, boil off the ethyl ether.
The product will be finally extracted from the residue after reduced pressure distillation.

Properties of Undecyl alcohol (Undecanol):
Chemical formula: C11H24O
Molar mass: 172.31 g/mol
Appearance: Colorless liquid
Density: 0.8298 g/mL
Melting point: 19 °C (66 °F; 292 K)
Boiling point: 243 °C (469 °F; 516 K)
Solubility in water: Insoluble
Solubility in Ethanol and diethyl ether: Soluble

Uses of Undecyl alcohol (Undecanol):
Although this Undecyl alcohol (Undecanol) is among the common varieties, but it is still not widely used.
Undecyl alcohol (Undecanol) is often used together with undecylenic aldenyde or other fat and aldehydes as the integrator of fragrant volatile of aldehyde.

Also Undecyl alcohol (Undecanol) can be well integrated with floral fragrance, citrus cologne, acacia, robinia pseudoacacia, tuberose, violets, clean and grass smell, usually used for rose base.
Few application is also available in such pineapple, orange, lemon, lime, orange , cassis, rose food flavors.

Storage of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) be sealed and stored in a cool dry place.
Undecyl alcohol (Undecanol) also be kept away from fire.

Chemical Properties of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is a colorless liquid; citrus odor.
Undecyl alcohol (Undecanol) is soluble in 60% alcohol.
Undecyl alcohol (Undecanol) is combustible.

Chemical Properties of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) has a floral, citrus-like odor and fatty flavor.

Occurrence of Undecyl alcohol (Undecanol):
Reported found in citrus fruits, fresh apple, banana, sour cherry, orange juice, orange peel oil, American cranberry, Vitis vinifera L., parmesan cheese, mushroom, tamarind, coriander seed and leaf, white wine, butter, heated butter, boiled eggs, boiled or uncured pork, plum brandy, coriander leaf, crayfish and oysters.

Uses of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is an antifungal, antioxidant compound.
As well, Undecyl alcohol (Undecanol) is used in the synthesis

Uses of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) can be used as a precursor in the synthesis of undecanal by chemoselective oxidation using a fluorous derivative of TEMPO (2,2,6,6-tetramethylpiperidine-1-oxyl) radical as a catalyst.
Undecyl alcohol (Undecanol) can be also used as a solvent in homogeneous liquid-liquid microextraction method.

Definition of Undecyl alcohol (Undecanol):
ChEBI: A fatty alcohol that is undecane substituted by a hydroxy group at position 1.

Preparation of Undecyl alcohol (Undecanol):
By reduction of the corresponding aldehyde.

Molecular Weight: 172.31
XLogP3: 4.6
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 1
Rotatable Bond Count: 9
Exact Mass: 172.182715385
Monoisotopic Mass: 172.182715385
Topological Polar Surface Area: 20.2 Å²
Heavy Atom Count: 12
Formal Charge: 0
Complexity: 71.4
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

General Description of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) has been reported as a key volatile constituent of Senecio tenuifolius and Flacourtia montana.

Health Hazard of Undecyl alcohol (Undecanol):
Recommended Personal Protective Equipment: Goggles and face shield; Symptoms Following Exposure: Liquid can irritate eyes; General Treatment for Exposure: Wash eyes with water for at least 15 min.; Toxicity by Inhalation (Threshold Limit Value): Not pertinent; Short-Term Exposure Limits: Not pertinent; Toxicity by Ingestion: Grade 2, LD50 = 0.5-5 g/kg; Late Toxicity: Data not available; Vapor (Gas) Irritant Characteristics: None; Liquid or Solid Irritant Characteristics: No appreciable hazard. Practically harmless to the skin; Odor Threshold: Not pertinent.

Flammability and Explosibility of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is nonflammable

Chemical Reactivity of Undecyl alcohol (Undecanol):
Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile of Undecyl alcohol:
-Moderately toxic by ingestion.
-A skin irritant.
-Combustible liquid.
-Mutation data reported.
-When heated to decomposition it emits acrid smoke and irritating fumes.

Purification Methods of Undecyl alcohol (Undecanol):
Purify the alcohol by repeated fractional crystallisation from its melt or by distillation in a vacuum.

Undecyl alcohol (Undecanol) properties:
Melting point: 11 °C (lit.)
Boiling point: 146 °C/30 mmHg (lit.)
Density: 0.83 g/mL at 25 °C (lit.)
vapor pressure: <1 hPa (20 °C)
FEMA: 3097 | UNDECYL ALCOHOL
refractive index: n20/D 1.44(lit.)
Flash point: >230 °F
storage temp.: Store below +30°C.
solubility: 0.0057g/l insoluble
form: Liquid
pka: 15.20±0.10(Predicted)
color: Clear colorless to pale yellow
Odor: Faint alcohol.
Viscosity: 20.03mm2/s
Water Solubility: Not miscible or difficult to mix with water. Soluble in chloroform and ethyl acetate.
JECFA Number: 106
BRN: 1698334
Stability: Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.
LogP: 4.9 at 20℃
CAS DataBase Reference: 112-42-5(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): UNDECYL ALCOHOL
FDA 21 CFR: 172.515
EWG's Food Scores: 1
FDA UNII: 06MJ0P28T3
EPA Substance Registry System: 1-Undecanol (112-42-5)

Catalogue Number:
U788800

Chemical Name:
1-Undecanol

Synonyms:
Undecyl Alcohol; 1-Hendecanol; 1-Hydroxyundecane; 1-Undecyl Alcohol; Alchem 11; Hendecanoic Alcohol; Hendecyl Alcohol; NSC 403667; Neodol 1; Tip-Nip; Undecanol; n-Undecan-1-ol; n-Undecyl Alcohol

CAS Number:
112-42-5

Molecular Formula:
C₁₁H₂₄O

Appearance:
Clear Colourless Oil

Molecular Weight:
172.31

Storage of Undecyl alcohol (Undecanol):
4°C

Solubility of Undecyl alcohol (Undecanol):
Chloroform, Ethyl Acetate

Category:
Building Blocks; Miscellaneous; Pharmaceutical/API Drug Impurities/Metabolites;
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package

Description of Undecyl alcohol (Undecanol):
Undecyl alcohol (Undecanol) is a fatty alcohol.
Undecyl alcohol (Undecanol) has a floral citrus like odor, and a fatty taste and is used as a flavoring ingredient in foods.
Undecyl alcohol (Undecanol) is commonly produced by the reduction of 1-undecanal, the analogous aldehyde.

Chemical Properties of Undecyl alcohol (Undecanol):
Appearance: Colorless Liquid
Boiling Point: 243 °C
CAS Number: 112-42-5
Class: 9
Density: 0.8298 g/ml
EINECS Number: 203-970-5
IUPAC Name: Undecan-1-ol
InChI: 1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey: KJIOQYGWTQBHNH-UHFFFAOYSA-N
Melting Point: 19 °C
Molar Mass: 172.31 g/mol
Molecular Formula: C11H24O
NFPA 704: H-2,F-1,R-0,C-NA
PG: 3
RTECS Number: YQ3155000
Refractive: 1.44 n20/D
Solubility: Insoluble
Synonyms: Undecanol;1-Undecanol;Undecyl Alcohol;1-Hendecanol;1-Hydroxyundecane;Hendecanoic Alcohol;Hendecyl Alcohol;NSC 403667;Neodol 1;n-Undecan-1-ol;n-Undecyl Alcohol

Synonym(s): Alcohol C11, Undecyl alcohol
Linear Formula: CH3(CH2)10OH
CAS Number: 112-42-5
Molecular Weight: 172.31
Beilstein: 1698334
EC Number: 203-970-5
MDL number: MFCD00004751
PubChem Substance ID: 24900621
NACRES: NA.22

Other names: Undecyl alcohol; n-Undecan-1-ol; n-Undecanol; n-Undecyl alcohol; Hendecanoic alcohol; Hendecyl alcohol; 1-Hendecanol; Alcohol c-11; n-Hendecylenic alcohol; Undecanol-(1); Tip-Nip; Undecanol; Decyl carbinol; Neodol 1; Undecan-1-ol; 1-Undecyl alcohol; NSC 403667

PROPERTIES of Undecyl alcohol (Undecanol):
Quality Level: 100
assay: 99%
refractive index: n20/D 1.44 (lit.)
bp: 146 °C/30 mmHg (lit.)
mp: 11 °C (lit.)
density: 0.83 g/mL at 25 °C (lit.)
storage temp.: 2-8°C
SMILES string: CCCCCCCCCCCO
InChI: 1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChI key: KJIOQYGWTQBHNH-UHFFFAOYSA-N

Synonyms of Undecyl alcohol (Undecanol):
1-Hendecanol
1-Undecanol
1-Undecyl alcohol
11-Undecanolactone
Alcohol c-11
Alcohol C11
Decyl carbinol
Dlcohol c-11 undecylic
Fatty alcohol(C11)
Hendecanoic alcohol
Hendecanol
Hendecyl alcohol
N-hendecylenic alcohol
n-Undecan-1-ol
N-undecanol
N-undecyl alcohol
Neodol 1
Neoflex 11
Pri-n-undecyl alcohol
Tip-nip
UMQ
UNA
Undecan-1-ol
Undecanol-(1)
undecyl Alcohol
C11 Alcohol
1-UNDECANOL
Undecan-1-ol
Undecyl alcohol
112-42-5
Undecanol
n-Undecanol
1-Hendecanol
n-Undecyl alcohol
Hendecanoic alcohol
Hendecyl alcohol
n-Hendecylenic alcohol
Tip-Nip
1-Undecyl alcohol
n-Undecan-1-ol
Decyl carbinol
Alcohol C-11
C11 alcohol
Fatty alcohol(C11)
Neodol 1
Undecanol-(1)
NSC 403667
CHEBI:87499
06MJ0P28T3
DSSTox_CID_6915
DSSTox_RID_78252
DSSTox_GSID_26915
Alcohol, undecyl
CAS-112-42-5
UMQ
UNA
FEMA No. 3097
HENDECANOL
HSDB 1089
EINECS 203-970-5
BRN 1698334
Decane, hydroxymethyl deriv.
UNII-06MJ0P28T3
AI3-00330
Alcohol C11
Neoflex 11
Pri-n-undecyl alcohol
1-Undecanol, 99%
Dlcohol c-11 undecylic
EC 203-970-5
SCHEMBL20655
n-C11H23OH
Undecyl alcohol, 97%, FG
4-01-00-01835 (Beilstein Handbook Reference)
CHEMBL444525
DTXSID0026915
AMY5947
ZINC1596062
Tox21_201585
Tox21_300548
LMFA05000144
MFCD00004751
NSC403667
s9450
STL280304
AKOS009031434
CS-W004292
HY-W004292
NSC-403667
6-(methylamino)pyridin-3-ylboronic?acid
NCGC00164024-01
NCGC00164024-02
NCGC00164024-03
NCGC00254401-01
NCGC00259134-01
1-Undecanol, purum, >=98.0% (GC)
143819-62-9
BP-31088
LS-14031
FT-0608326
U0005
EN300-20041
Q161686
J-002774
F8881-3903
112-42-5 [RN]
1-Undecanol [ACD/Index Name] [ACD/IUPAC Name]
1-Undecanol [German] [ACD/Index Name] [ACD/IUPAC Name]
1-Undécanol [French] [ACD/IUPAC Name]
250-092-3 [EINECS]
30207-98-8 [RN]
MFCD00004751 [MDL number]
undecan-1-ol
Undecanol [Wiki]
Undecyl alcohol
YQ3155000
11-Undecanolactone
143819-62-9 [RN]
1-Hendecanol
1-Hydroxyundecane
1-UNDECANOL-D23
1-Undecyl alcohol
349553-88-4 [RN]
4-01-00-01835 (Beilstein Handbook Reference) [Beilstein]
Alcohol, undecyl
bovine albumin
Hendecanoic alcohol
hendecanol
Hendecyl alcohol
methyl butylhexanol
NCGC00164024-01
Neodol 1
Neoflex 11
n-Hendecylenic alcohol
n-Undecan-1-ol
n-Undecanol
N-UNDECYL ALCOHOL
n-Undecyl-d23 Alcohol
Pri-N-undecyl alcohol
pUndecanol
Tip-Ni
Tip-Nip
UMQ
UNA
Undecanol-(1)
UNDECYL-MALTOSIDE