Ethyl Thioglycolate
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Basic information
- CAS
623-51-8- Standard SMILES
CCOC(=O)CS- InChIKey
PVBRSNZAOAJRKO-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.17 g/mol
- Monoisotopic mass
- 120.02450067
Overview
Based on the available data, the CIR Expert Panel concluded that ... Ethyl Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure.
Names & identifiers
- Preferred name
- Ethyl Thioglycolate
- IUPAC
- ethyl 2-sulfanylacetate
- English name
- Ethyl Thioglycolate
- Molecular formula
- C4H8O2S
- Molecular weight
- 120.17
Names & synonyms
Ethyl thioglycolate623-51-8Ethyl 2-mercaptoacetateEthyl mercaptoacetateUSAF EK-2070Thioglykolsaeure-aethylesterEthyl .alpha.-mercaptoacetateAcetic acid, 2-mercapto-, ethyl ester2-mercaptoacetic acid ethyl esterNSC 8834UNII-Z5SD8DD6CPZ5SD8DD6CP
Show more names
THIOGLYCOLIC ACID ETHYL ESTERusafek-2070EthylthioglykolatEthyl thioglycolatEthylsulfanylacetatThioglycolate ethyl
EINECS 210-800-3Thioglykolsaeure-aethylester [German]BRN 0605581ETHOXYCARBONYLMETHANETHIOLAI3-23030NSC-8834Ethyl alpha-mercaptoacetate4-03-00-00616 (Beilstein Handbook Reference)
Database identifiers
- CAS
623-51-8- PubChem CID
- 12185
- DTXSID
DTXSID8049337- ChEMBL
CHEMBL3181965- UNII
- Z5SD8DD6CP
- EC Number
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Cosmetics
Cosmetic ingredients (Ethyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)
Depilatory; Hair waving or straightening; Reducing
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionColorless liquid with a stench; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -80 °C · -80 °C
- Boiling point
- 54 °C/12 · 54 °C/12 mmHg (lit.)
- Density
- 1.096 g/mL · 1.096 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.457(lit.)
- Flash point
- 118 °F · 118 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- form
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Ethyl mercaptoacetate (EC: 210-800-3)
Ethyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Thioglycolic acid.
Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)
Toxicology
Toxicity Summary
Based on the available data, the CIR Expert Panel concluded that ... Ethyl Thioglycolate is safe for use in hair straighteners, permanent waves, tonics, dressings, and so forth, wave sets, other non-coloring hair products, and hair dyes and colors, as described in this safety assessment, at concentrations up to 15.2% (as Thioglycolic Acid). Hairdressers should avoid skin contact and minimize consumer skin exposure.
Safe for use in cosmetics, with qualifications
Safety data
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Ethyl Thioglycolate
Use ClassificationCosmetics -> Depilatory; Hair waving or straightening; Reducing
General Manufacturing InformationAcetic acid, 2-mercapto-, ethyl ester: ACTIVE
Applications
UsesIt finds its application in the reaction of the dilithio-derivative with an aldehyde, followed by conversion to the episulfide by reaction with ethyl chloroformate, and desulfurization with triethyl phosphite, leads to the (E)-2-alkenoic acid with high stereoselectivity. It is used as depilatories, hair straightening agent, hair waving agent, and reducing agent in cosmetic industry.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
409 records
Compound notes
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