Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에틸티오글라이콜레이트
에틸티오글라이콜레이트 · ETHYL 2-MERCAPTOACETATE · ETHYL MERCAPTOACETATE · THIOGLYCOLIC ACID ETHYL ESTER · usafek-2070 · USAF ek-2070 · Ethylthioglykolat · Ethyl thioglycolat
식별자 및 물리적 특성
| CAS No. | 623-51-8 |
|---|---|
| 분자식 | C4H8O2S |
| 평균 분자량 | 120.17 g/mol |
| 단동위원소 질량 | 120.0245005 g/mol |
| SMILES | CCOC(=O)CS |
| InChIKey | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| PubChem CID | 12185 |
| ChEMBL | CHEMBL3181965 |
| EC No. | 210-800-3 |
| DTXSID | DTXSID8049337 |
| 현지명 | 에틸티오글라이콜레이트 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 27.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 62.7 |
| 물질 분류 | Other Classes -> Esters, Other |
| 화장품 | 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] |
| 녹는점 | -80 °C |
| 끓는 점 | 54 °C/12 mmHg (lit.) |
| 밀도 | 1.096 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.457(lit.) |
| 인화점 | 118 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:7.95(SH) (25°C) |
| 색상 | 무색의 |
| 용해도 | 물에 섞이거나 혼합하기 어렵지 않습니다. |
| BRN | 605581 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| 화장품 원료 기능 | 피부의 산화 스트레스를 줄이세요제모제헤어 웨이브 또는 스트레이트 |
| InChI | 1S/C4H8O2S/c1-2-6-4(5)3-7/h7H,2-3H2,1H3 |
| InChIKey | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CS |
| LogP(분배 계수) | 1.134 (est) |
| EPA | Acetic acid, mercapto-, ethyl ester (623-51-8) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | A mild eye irritantToxic by ingestion[Alfa Aesar MSDS] See Thioglycolic acid. |
| Hazard Classes and Categories | Flam. Liq. 3 (98.1%) |
| 독성 요약 | 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 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AI6650000 |
| 운송 번호(UN) | UN 1992 3/PG 3 |
| 관세 코드 | 29309090 |
| 위험 문구(R) | 10-25-36/38 |
| 위험 표시 | T |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 기존화학 물질 | KE-13895 |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
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.