Methyl Glycolate (HCID 66774)

概要

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...

名称と識別子

優先名称: Methyl Glycolate
IUPAC: methyl 2-hydroxyacetate
現地名: グリコール酸メチル
英語名: Methyl glycolate
分子式: C3H6O3
分子量: 90.08

名称と別名

Methyl glycolate96-35-5Methyl hydroxyacetateAcetic acid, hydroxy-, methyl esterGlycolic acid, methyl esterAcetic acid, 2-hydroxy-, methyl ester7G7R729EJ0NSC-27786DTXSID3059131RefChem:157882DTXCID4048981202-502-7

名称をさらに表示

グリコール酸メチルメチルグリコラートメチル=グリコラートヒドロキシ酢酸メチル2-ヒドロキシ酢酸メチルグリコ-ル酸メチルMGMethylglycolate,98%Hydroxy acetateMethyleglycolate2-hydroxyethanoateGlycolic acid methyl

methyl 2-hydroxyacetateMFCD00004667Hydroxyacetic Acid Methyl Ester2-hydroxyacetic acid methyl esterGlycolic Acid Methyl EsterMethyl 2-hydroxyethanoate124238-96-6EINECS 202-502-7

データベース識別子

CAS: 96-35-5
PubChem CID: 66774
DTXSID: DTXSID3059131
UNII: 7G7R729EJ0
EC Number: 202-502-7
Nikkaji: J3.969A

物性

構造計算による物性

XLogP: -0.5
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 50

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other

CosmeticsCosmetic ingredients (Methyl Glycolate) -> CIR (Cosmetic Ingredient Review)

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 149 · 149-151 °C
沸点: 149 · 149-151 °C(lit.)
比重(密度): 1.167 g/mL · 1.167 g/mL at 25 °C(lit.)
蒸気密度: 3.12 · 3.12 (vs air)
蒸気圧: 17 mm · 17 mm Hg ( 52 °C)
屈折率: 20 · n20/D 1.417(lit.)
闪点: 153 °F · 153 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 13 · 13.00±0.10(Predicted)
外見: 液体
色: 無色透明
水溶解度: 水と混和します。
BRN: 1699571 · 1699571
InChI: 1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3
InChIKey: GSJFXBNYJCXDGI-UHFFFAOYSA-N
SMILES: COC(=O)CO
CAS データベース: 96 · 96-35-5(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, hydroxy-, methyl ester(96-35-5)
EPAの化学物質情報: Acetic acid, hydroxy-, methyl ester (96-35-5)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory InformationAcetic acid, hydroxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)

毒性情報

Toxicity Summary · 2 件

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

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29181990
risk_code: 36/37/38
化審法: (2)-3774
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 23-24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesCIR ingredient: Methyl Glycolate

General Manufacturing InformationAcetic acid, 2-hydroxy-, methyl ester: ACTIVE

応用分野 · 2 件

使用Methyl 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.

一般的な説明Synthesis 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.