HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl Thioglycolate
ETHYL 2-MERCAPTOACETATE · ETHYL MERCAPTOACETATE · THIOGLYCOLIC ACID ETHYL ESTER · usafek-2070 · USAF ek-2070 · Ethylthioglykolat · Ethyl thioglycolat · Ethylsulfanylacetat
Identifiers & Physical Properties
| CAS No. | 623-51-8 |
|---|---|
| Molecular formula | C4H8O2S |
| Average molar mass | 120.17 g/mol |
| Monoisotopic mass | 120.0245005 g/mol |
| SMILES | CCOC(=O)CS |
| InChIKey | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| PubChem CID | 12185 |
| ChEMBL | CHEMBL3181965 |
| EC No. | 210-800-3 |
| DTXSID | DTXSID8049337 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 27.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 62.7 |
| Chemical classes | Other Classes -> Esters, Other |
| Cosmetics | Cosmetic ingredients (Ethyl Thioglycolate) -> CIR (Cosmetic Ingredient Review)Hair waving or straighteningReducingDepilatory |
| SpringerMaterials Properties | Optical coefficient |
| Physical Description | Colorless liquid with a stench[Alfa Aesar MSDS] |
| Melting point | -80 °C |
| Boiling point | 54 °C/12 mmHg (lit.) |
| Density | 1.096 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.457(lit.) |
| Flash point | 118 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Physical state | Liquid |
| pKa (acidity coefficient) | pK1:7.95(SH) (25°C) |
| Color | Clear colorless |
| Solubility | Not miscible or difficult to mix in water. |
| Sensitivity | Air Sensitive |
| BRN | 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 (partition coefficient) | 1.134 (est) |
| CAS DataBase Reference | 623-51-8(CAS DataBase Reference) |
| EWG's Food Scores | 1-3 |
| FDA UNII | Z5SD8DD6CP |
| EPA Substance Registry System | Acetic acid, mercapto-, ethyl ester (623-51-8) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H315-H317-H319-H335 |
| GHS precautionary statements | P261-P264-P280-P301+P310-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | T |
| Risk statements (R) | 10-25-36/38 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 1992 3/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | AI6650000 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Packing group | III |
| Customs code | 29309090 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | DangerH226 (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. |
|---|---|
| Regulatory information | Status: Active Update: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34481Ethyl thioglycolate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | A mild eye irritantToxic by ingestion[Alfa Aesar MSDS] See Thioglycolic acid. |
| Hazard Classes and Categories | Flam. Liq. 3 (98.1%) |
| 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 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | AI6650000 |
| UN transport number | UN 1992 3/PG 3 |
| Customs code | 29309090 |
| Risk statements (R) | 10-25-36/38 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 3Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H301-H315-H317-H319-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P261-P264-P280-P301+P310-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
It 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.