Sodium Isethionate = Sodium 2-hydroxyethanesulfonate = Isethionic acid sodium salt
CAS Number: 1562-00-1
Molar Mass: 148.11 g/mol
Molecular Formula: C2H5NaO4S
Sodium Isethionate is a white water-soluble solid used in the manufacture of certain surfactants and in the industrial production of taurine.
Sodium Isethionate works as an amphoteric detergent and can also be used as an intermediate in preparing surfactants derived from fatty acid sulfoalkyl esters (acyloxy ethane sulfonate).
Sodium Isethionate increases the formulation's stability, improves the detergency in hard water, and is smooth to the skin.
These features are commonly used in the Home Care and I&I, and Personal Care markets in soap and shampoo formulations.
Sodium Isethionates benefits in the final product are highly appreciated by consumers, such as abundant foam and reduced soap residue on the skin, in addition to being a major antistatic agent in shampoos.
These features prove Oxiteno's commitment to Sodium Isethionates purpose of contributing to people's well-being through chemistry.
Description of Sodium Isethionate:
Sodium Isethionate is an anionic detergent used in detergent bar soaps.
Sodium Isethionate makes a dense lather in addition to the lather made by the soap.
Sodium Isethionate is mild on the skin, and non-drying.
Sodium Isethionate works equally well in soft or hard water.
Sodium Isethionate is also an anti-static agent in shampoos.
Sodium Isethionate is used widely in the field of electroplating.
Chemical Properties of Sodium Isethionate:
Sodium isethionate is a colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid.
Sodium Isethionate is an organic salt and an important intermediate for pharmaceuticals, cosmetics and daily chemicals.
Uses of Sodium Isethionate:
Sodium Isethionate is an amphoteric detergent used in detergent bar soaps.
Sodium Isethionate makes a dense lather in addition to the lather made by the soap.
Sodium Isethionate is mild on the skin, and non-drying. It works equally well in soft or hard water.
Sodium Isethionate is also an anti-static agent in shampoos.
Preparation of Sodium Isethionate:
Sodium isethionate is synthesized by the condensation reaction of sodium bisulfite and ethylene oxide.
Applications of Sodium Isethionate:
Sodium Isethionate works as an amphoteric detergent and can also be used as an intermediate in preparing surfactants derived from fatty acid sulfoalkyl esters (acyloxy ethane sulfonate).
Sodium Isethionate increases the formulation's stability, improves the detergency in hard water, and is smooth to the skin.
Sodium Isethionate is used in cleaning/washing agents, disinfectants, cosmetics, surface-active agents, shampoos, and bubble baths.
Flammability and Explosibility of Sodium Isethionate:
Nonflammable
Sources/Uses of Sodium Isethionate:
Sodium Isethionate is used for wetting coal dust and as a sulfoethylating agent in organic synthesis.
Sodium Isethionate is used in cleaning/washing agents, disinfectants, cosmetics, surface-active agents, shampoos, and bubble baths.
Sodium isethionate Properties:
Melting point: 191-194 °C(lit.)
Density: 1762.7[at 20℃]
storage temp.: Store Sodium Isethionate below +30°C.
solubility: H2O: 0.1 g/mL, clear, colorless
form: Fine Powder
color: White
Usage of Sodium Isethionate:
Sodium Isethionate is a white water-soluble solid used in the manufacture of certain surfactants and in the industrial production of taurine.
Sodium Isethionate is most commonly available in the form of its sodium salt (sodium isethionate).
Sodium isethionate more commonly called sodium cocoyl isethionate is a sodium salt derived from coconut oil.
Sodium Isethionate's a common ingredient that is often used as a replacement for animal-derived sodium salts.
Like many other sodium salts, such as sodium tallowate (which is derived from cattle or sheep), it finds its way into soaps and cleansers because it acts as a surfactant, which means that it helps to bind chemical compounds that don't typically dissolve in water.
In the case of its use in soaps, Sodium Isethionate helps water cling to the dirt and oil on your skin, allowing them to be washed away.
CAS Number: 1562-00-1
Chem/IUPAC Name: Sodium 2-hydroxyethanesulphonate
EINECS/ELINCS No: 216-343-6
COSING REF No: 37896
What does Sodium Isethionate do in a formulation?
-Antistatic
-Cleansing
-Hair conditioning
-Skin conditioning
Features of Sodium Isethionate:
-Biodegradablein natural environment
-Good compatibility with other surfactants
-Excellent foamingproperty
-Resistant to hard water in a wide range.
-Safe,environment benign, can be used for infant products
-Solubility:soluble in ether, chloroform, methylene dichloride, benzene(hot), insoluble in cold ethanol, benzene.
Applications of Sodium Isethionate:
In soap:
Reduce PH value, mildness and irritancy.
In cleanser:
Rich and mild foam, penetration into skin making it white and charmful.
In shampoo:
Safe,low irritancy
In shower gel:
Eliminating oil sensation from skin, giving freshness.
PH: 7.0-11.0 (20g/l, H2O, 20℃)
Water Solubility: SOLUBLE
BRN: 3633992
Stability:
Sodium Isethionate is stable.
Sodium Isethionate is hygroscopic.
Sodium Isethionate is incompatible with strong oxidizing agents, strong acids.
LogP: -4.6 at 20℃
CAS DataBase Reference: 1562-00-1(CAS DataBase Reference)
EWG's Food Scores: 1
CAS No.: 1562-00-1
Chemical Name: Sodium isethionate
Synonyms:
ISETHIONIC ACID SODIUM SALT, sodium lauroyl methyl isethionate, phonic acid, 2-HydroxyethanesuL, ISETHIONIC ACID SODIUM, 2-hydroxyethyl sulfonate, Sodiumhydroxyethylsulfonate, 2-HYDROXYETHANESULFONIC ACID, SODIUM 2-HYDROXYETHANESULFONATE, HYDROXYETHYLSULFONIC ACID SODIUM SALT
Sodium Isethionate is a white water-soluble solid used in the manufacture of certain surfactants and in the industrial production of taurine.
KEYWORDS:
1562-00-1, Sodium 2-hydroxyethanesulfonate, Isethionic acid sodium salt, Ethanesulfonic acid 2-hydroxy- monosodium salt, Sodium beta-hydroxyethanesulfonate, 2-Hydroxyethanesulfonic acid sodium salt, 3R36J71C17, Sodium 2-hydroxy-1-ethanesulfonate, MFCD00007534, NSC 124283
CBNumber: CB8253893
Molecular Formula: C2H5NaO4S
Molecular Weight: 148.11
MDL Number: MFCD00007534
MOL File: 1562-00-1.mol
Synthesis of Isethionic acid:
Isethionic acids original synthesis, by the reaction of sulfur trioxide on ethanol, has largely been surpassed.
Isethionic acid may be produced by the hydrolysis of carbyl sulfate, which is obtained by the sulfonation of ethylene.
Reactions of Isethionic acid:
Isethionic acid is used as a starting material in the industrial production of taurine.
Dehydration of isethionic acid gives vinylsulfonic acid.
What is Isethionic acid?
Isethionic acid is an organosulfur compound containing an alkylsulfonic acid located beta to a hydroxy group.
Isethionic acid's discovery is generally attributed to Heinrich Gustav Magnus, who prepared it by the action of solid sulfur trioxide on ethanol in 1833.
Isethionic acid is most commonly available in the form of its sodium salt (sodium isethionate).
Derivatives:
Fatty acid esters of isethionic acid (such as sodium lauroyl isethionate and sodium cocoyl isethionate) are used as biodegradable anionic surfactants.
These materials are much milder to skin that other sulfate based surfactants (i.e. sodium lauryl sulfate) making them popular for use in make-up, shampoos and ‘Dove type’ soap bars.
Isethionic acid is also used as a counter ion in certain pharmaceutical formulations, including the antimicrobials hexamidine and pentamidine.
Biological importance of Isethionic acid:
Studies made on dog heart slices suggested that heart tissue may be capable of converting taurine to isethionic acid, further experiments demonstrated that this tissue may synthetize taurine from cystine.
Isethionates are esters of long-chain aliphatic carboxylic acids (C8 – C18) with isethionic acid (2-hydroxyethanesulfonic acid) or salts thereof, such as ammonium isethionate or sodium isethionate.
They are also referred to as acyl isethionates or acyloxyethanesulfonates.
Like the taurides, isethionates are a class of particularly mild anionic surfactants which, unlike ordinary soaps, retain their washing-active properties even in hard water.
Isethionates are obtained on an industrial scale reacting mixtures of carboxylic acids with salts of isethionic acid under acidic catalysis e. g. with methanesulfonic acid.
The mixtures of carboxylic acids are obtained from the hydrolysis of animal fats (tallow) or vegetable oils, preferably coconut oil, but also palm oil, soybean oil or castor oil.
Isethionates are solids which are often mixed with fatty acids (up to 30% by weight) to lower their freezing point.
Despite its low water solubility (100ppm at 25 °C), the lower-priced sodium cocoylisethionate has found more widespread use than its well water-soluble ammonium salt (> 25 wt.% at 25 °C).
To solubilize the sparsely soluble isethionates and taurides, the formation of mixtures with amphoteric surfactants (such as cocamidopropyl betaine) are proposed.
From such mixtures, it is possible to prepare liquid, clear and transparent aqueous concentrates which are liquid at room temperature.
Isethionates are characterized by excellent skin compatibility, excellent foaming (even in hard water), good cleansing properties and a pleasant skin feel.
They are non-toxic and readily biodegradable.
However, in contrast to the taurides, they are not long-term stable outside a pH range of 5 to 8.
Isethionates are used in solid soaps (so-called syndet bars) and in other personal care products such as lotions, washing and shower gels, shampoos, liquid soaps, shaving creams, and other cosmetic and dermatological preparations.
Preferred IUPAC name:
2-Hydroxyethane-1-sulfonic acid
Identifiers of Sodium Isethionate:
CHEBI:1157
ChemSpider: 7578
ECHA InfoCard: 100.003.169
KEGG: C05123
PubChem CID: 7866
UNII: 97J3QN9884
CompTox Dashboard (EPA): DTXSID1041427
Chemical Properties of Sodium Isethionate:
Appearance : White Crystalline Powder
CAS Number: 1562-00-1
Density: 1.625 g/cm3
EINECS Number: 216-343-6
HS Code: 29055910
IUPAC Name: Sodium 2-hydroxyethanesulfonate
InChI: 1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey: LADXKQRVAFSPTR-UHFFFAOYSA-M
Melting Point: 191-194 °C
Molar Mass: 148.11 g/mol
Molecular Formula: C2H5NaO4S
NFPA 704: H-0,F-0,R-0,C-NA
RTECS Number: KI7700000
Solubility: Soluble
Synonyms: Ethanesulfonic Acid, 2-hydroxy-, Sodium Salt;Sodium Isethionate;Ethanesulfonicacid, 2-hydroxy-, Monosodium Salt;Ethanesulfonic Acid, 2-hydroxy-,Sodium Salt;Isethionic Acid Sodium Salt;2-Hydroxyethanesulfonicacid Sodium Salt;Adeka Tec HES;Sodium 1-hydroxy-2-ethanesulfonate;Sodium 2-hydroxyethanesulfonate;Sodium b-hydroxyethanesulfonate;Sodium Hydroxyethylsulfonate;Isethionic Acid, Sodium Salt
Physico-chemical Properties of Sodium Isethionate:
Molecular Formula: C2H5NaO4S
Molar Mass: 148.11
Density: 1762.7[at 20℃]
Melting Point: 191-194°C(lit.)
Water Solubility: SOLUBLE
Solubility: H2O: 0.1g/mL, clear, colorless
Appearance : White crystal
Color: White
BRN: 3633992
PH: 7.0-11.0 (20g/l, H2O, 20℃)
Storage Condition: Store below +30°C.
Stability: Stable. Hygroscopic. Incompatible with strong oxidizing agents, strong acids.
Sensitive: Easily absorbing moisture
MDL: MFCD00007534
Uses of Sodium Isethionate:
Sodium Isethionate is used as surfactant intermediates, daily chemical and pharmaceutical intermediates
Properties of Sodium Isethionate:
Chemical formula: C2H6O4S
Molar mass: 126.13 g/mol
Density: 1.63 g/cm3
Acidity (pKa): 1.39 (predicted)
Applications:
The main raw material for the production of sodium cocoyl isethionate,can also be used as a detergent for wool textile products, intermediates for daily chemical products, pharmaceutical raw materials and intermediates for fine chemical products.
Storage and transport of Sodium Isethionate:
Sodium Isethionate should be stored in a dry, Ventilative and clear warehouse; kept away from moisture.
Furthermore, Sodium Isethionate should be stored separately from poisonous substances.
Typical Properties of Sodium Isethionate:
Appearance White crystal powder
Assay : 98% min
Water : ≤0.5%
PH: 7-11
Color: ≤10#
Heavy mental(As Pb): ≤10ppm
Specifications of Sodium Isethionate:
Color: White
Melting Point: 194°C
Formula Weight: 148.11
Physical Form: Crystal-Powder at 20°C
Percent Purity: ≥98.0% (T)
Chemical Name or Material: Sodium Isethionate
Synonyms:
phonic acid
2-HydroxyethanesuL
Sodium isethionate
2-hydroxyethanesulfonate
Isethionic acid, sodium salt
Sodium hydroxyethyl sulfonate
sodium2-hydroxyethylsulfonate
sodium 2-hydroxyethanesulfonate
sodium2-hydroxy-1-ethanesulfonate
2-Hydroxyethansulfonsure, Na-Salz
sodiumbeta-hydroxyethanesulfonate
2-Hydroxyethanesulfonic acid, sodium salt
Ethanesulfonicacid,2-hydroxy-,monosodiumsalt
Ethanesulfonic acid, 2-hydroxy-, monosodium salt
Chemical and Physical Properties of Sodium Isethionate:
Molecular Weight: 148.12
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Rotatable Bond Count: 2
Exact Mass: 147.98062409
Monoisotopic Mass: 147.98062409
Topological Polar Surface Area: 85.8 Ų
Heavy Atom Count: 8
Formal Charge: 0
Complexity: 122
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: 2
Compound Is Canonicalized: Yes
PROPERTIES of Sodium Isethionate:
Quality Level: 200
assay: 98%
form: solid
mp: 191-194 °C (lit.)
SMILES string: [Na+].OCCS([O-])(=O)=O
InChI: 1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
InChI key: LADXKQRVAFSPTR-UHFFFAOYSA-M
SODIUM ISETHIONATE
1562-00-1
Isethionic acid sodium salt
Sodium 2-hydroxyethanesulfonate
2-Hydroxyethanesulfonic acid sodium salt
Sodium hydroxyethylsulfonate
Ethanesulfonic acid, 2-hydroxy-, monosodium salt
Sodium beta-hydroxyethanesulfonate
2-Hydroxyethanesulfonic acid, sodium salt
3R36J71C17
Ethanesulfonic acid, 2-hydroxy-, sodium salt (1:1)
Sodium 2-hydroxyethanesulphonate
Sodium 1-hydroxy-2-ethanesulfonate; Sodium 2-hydroxy-1-ethanesulfonate; Sodium 2-hydroxyethanesulfonate
Sodium 2-hydroxyethylsulfonate
HSDB 5838
NSC-124283
Sodium 1-hydroxy-2-ethanesulfonate
Sodium 2-hydroxy-1-ethanesulfonate
EINECS 216-343-6
MFCD00007534
NSC 124283
sodium;2-hydroxyethanesulfonate
ISETHIONATE, SODIUM SALT
UNII-3R36J71C17
Ethanesulfonic acid, 2-hydroxy-, sodium salt
isethionic acid sodium
2-hydroxy-ethanesulfonate
DSSTox_CID_7413
EC 216-343-6
sodium hydroxyethyl sulfonate
DSSTox_RID_78445
DSSTox_GSID_27413
Isethionic acid, sodium salt
Istethionic Acid Sodium Salt
SCHEMBL125497
CHEMBL172191
DTXSID7027413
Sodium 2-Hydroxy-Ethanesulfonate
SODIUM ISETHIONATE [HSDB]
SODIUM ISETHIONATE [INCI]
Isethionic acid sodium salt, 98%
HY-Y1173
2-hydroxyethanesulfonic acid; sodium
Tox21_200227
AKOS015912506
NCGC00257781-01
CAS-1562-00-1
SODIUM 2-HYDROXYETHANESULFONIC ACID
CS-0017163
FT-0627314
H0241
A809723
J-009283
Q1969744
F1905-7166
2-Hydroxy Ethanesulphonic Acid Sodium Salt, Isethionic Acid Sodium Salt, Ethanol Sulphonic Acid Sodium Salt