グリコール酸メチル
Methyl Glycolate
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基本情報
- CAS
96-35-5- 標準SMILES
COC(=O)CO- InChIKey
GSJFXBNYJCXDGI-UHFFFAOYSA-N- 分子式
- C3H6O3
- 平均分子量
- 90.08 g/mol
- 単同位体質量
- 90.03169405
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
物性
構造計算による物性補完中
- XLogP
- -0.5
- 極性表面積
- 46.5 Ų
- 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
- 151 °C · 151 °C
- 比重(密度)
- 1.19 · 1.19
- 蒸気密度
- 3.12 · 3.12 (vs air)
- 蒸気圧
- 17 mm · 17 mm Hg ( 52 °C)
- 屈折率
- 1.42 · 1.42
- 闪点
- 67 °C · 67 °C
- 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
- 外見
- clear liquid
- 酸解離定数(Pka)
- 13 · 13.00±0.10(Predicted)
- 色
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
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
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
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
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.
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