기본 정보
- 표준 SMILES
COC(=O)CO- InChIKey
GSJFXBNYJCXDGI-UHFFFAOYSA-N- 분자식
- C3H6O3
- 평균 분자량
- 90.08 g/mol
- 단동위원소 질량
- 90.03169405
개요
Based on the available information included in this report, the CIR Expert Panel concludes that Glycolic and Lactic Acid, their common salts and their simple esters, are safe for use in cosmetic products at concentrations less than or equal to 10%, at final formulation pH greater than or equal to 3.5, when formulated to avoid increasing sun sensitivity or when directions for use include the daily use of sun protection. These ingredients are safe for use in salon products at concentrations less than or equal to 30%, at final formulation pH greater than or equal to 3.0, in products designed for brief, discontinuous use followed by thorough rinsing from the skin, when applied by trained professionals, and when application is accompanied by directions for the daily use of sun protection...Methyl Glycolate...
이름 및 식별자
- 우선 이름
- Methyl Glycolate
- IUPAC
- methyl 2-hydroxyacetate
- 현지명
- 메틸글리콜레이트
- 영어명
- Methyl glycolate
- 분자식
- C3H6O3
- 분자량
- 90.08
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
96-35-5- PubChem CID
- 66774
- DTXSID
DTXSID3059131- UNII
- 7G7R729EJ0
- EC Number
- 202-502-7
- Nikkaji
- J3.969A
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 50
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 149 · 149-151 °C
- 끓는 점
- 149 · 149-151 °C(lit.)
- 밀도
- 1.167 g/mL · 1.167 g/mL at 25 °C(lit.)
- 증기 밀도
- 3.12 · 3.12 (vs air)
- 증기압
- 17 mm · 17 mm Hg ( 52 °C)
- 굴절률
- 20 · n20/D 1.417(lit.)
- 인화점
- 153 °F · 153 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 13 · 13.00±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색의
- 수용성
- 물과 섞일 수 있습니다.
- BRN
- 1699571 · 1699571
- InChI
- 1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
- InChIKey
- GSJFXBNYJCXDGI-UHFFFAOYSA-N
- SMILES
- COC(=O)CO
- NIST
- Acetic acid, hydroxy-, methyl ester(96-35-5)
- EPA
- Acetic acid, hydroxy-, methyl ester (96-35-5)
화학적 성질
Clear colorless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
독성 정보
Toxicity Summary
Based on the available information included in this report, the CIR Expert Panel concludes that Glycolic and Lactic Acid, their common salts and their simple esters, are safe for use in cosmetic products at concentrations less than or equal to 10%, at final formulation pH greater than or equal to 3.5, when formulated to avoid increasing sun sensitivity or when directions for use include the daily use of sun protection. These ingredients are safe for use in salon products at concentrations less than or equal to 30%, at final formulation pH greater than or equal to 3.0, in products designed for brief, discontinuous use followed by thorough rinsing from the skin, when applied by trained professionals, and when application is accompanied by directions for the daily use of sun protection...Methyl Glycolate...
Safe for use in cosmetics, with qualifications
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29181990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25
- 기존화학 물질
- KE-20320
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
응용 분야
용도Methyl glycolate is a chemical reagent used in the synthesis of taxol and rapamycin. It is used in leather tanning and textile dyeing. It acts as a flavoring agent, preservative in food processing, in water treatment industries and as chemical intermediates. Further, it is used in emulsion polymers, ink and paint additive to improve flow properties and impart gloss. It plays an important role in producing triisopropylsilanyloxy-acetic acid methyl ester using imidazole as reagent.
일반 설명Synthesis of methyl glycolate from the carbonylation of HCHO using heteropoly acids (HPAs) as catalysts, followed by esterification with methanol was reported. Size-selective vibrational spectroscopy of methyl glycolate clusters was reported.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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