Basic information
- Standard SMILES
CCOC(=O)CS- InChIKey
PVBRSNZAOAJRKO-UHFFFAOYSA-N- Molecular formula
- C4H8O2S
- Average molar mass
- 120.17 g/mol
- Monoisotopic mass
- 120.0245005
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-aethylesterNSC 8834Ethyl .alpha.-mercaptoacetateAcetic acid, 2-mercapto-, ethyl ester2-mercaptoacetic acid ethyl esterUNII-Z5SD8DD6CPZ5SD8DD6CP
Show more names
THIOGLYCOLIC ACID ETHYL ESTERusafek-2070EthylthioglykolatEthyl thioglycolatEthylsulfanylacetatThioglycolate ethyl
EINECS 210-800-3Thioglykolsaeure-aethylester [German]BRN 0605581AI3-23030NSC-8834Ethyl alpha-mercaptoacetateETHOXYCARBONYLMETHANETHIOL4-03-00-00616 (Beilstein Handbook Reference)
Database identifiers
- CAS
623-51-8- PubChem CID
- 12185
- DTXSID
DTXSID8049337- ChEMBL
CHEMBL3181965- UNII
- Z5SD8DD6CP
- EC Number
- 210-800-3
- Nikkaji
- J49.275B
Properties
Computed structural properties
- 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)
Hair waving or straightening; Reducing; Depilatory
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
- Liquid
- pka
- 1 · pK1:7.95(SH) (25°C)
- color
- Clear colorless
- Water Solubility
- Not miscible or difficult to mix in water.
- Sensitive
- Air Sensitive
- BRN
- 605581 · 605581
- Stability
- Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
- Cosmetics Ingredients Functions
- REDUCINGDEPILATORYHAIR WAVING OR STRAIGHTENING
- Cosmetic Ingredient Review (CIR)
- Ethyl Thioglycolate (623-51-8)
- InChI
- 1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3
- InChIKey
- PVBRSNZAOAJRKO-UHFFFAOYSA-N
- SMILES
- CCOC(=O)CS
- LogP
- 1.134 · 1.134 (est)
- CAS DataBase Reference
- 623 · 623-51-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 5 SD8DD6CP · Z5SD8DD6CP
- EPA Substance Registry System
- Acetic acid, mercapto-, ethyl ester (623-51-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H317-H319-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T
- Risk Statements
- 10 · 10-25-36/38
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1992 · UN 1992 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 6650000 · AI6650000
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- REACH Registrations
- Active
Safety & regulation
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
Status: Active Update: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34481
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
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AI6650000
- ridadr
- UN 1992 3/PG 3
- hs_code
- 29309090
- risk_code
- 10-25-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 3
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301-H315-H317-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Ethyl Thioglycolate
Use ClassificationCosmetics -> Hair waving or straightening; Reducing; Depilatory
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
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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