Ethyl Glycolate (HCID 12184)

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...Ethyl Glycolate...

名称と識別子

優先名称: Ethyl Glycolate
IUPAC: ethyl 2-hydroxyacetate
現地名: グリコール酸エチル
英語名: Ethyl glycolate
分子式: C4H8O3
分子量: 104.1

名称と別名

Ethyl glycolate623-50-7Ethyl hydroxyacetateHydroxyacetic acid ethyl esterGLYCOLIC ACID, ETHYL ESTEREthyl glycollateNSC 8835Acetic acid, 2-hydroxy-, ethyl esterC306E91WFKAI3-03541NSC-8835EINECS 210-798-4

名称をさらに表示

グリコール酸エチルグリコール酸1-エチルヒドロキシ酢酸エチルエチルグリコラート2-ヒドロキシ酢酸エチルエチル 2-ヒドロキシアセタートHOCH2COOC2H5EthylGlycolate>Ethyl glycolate,95%Ethyl glycolate 98%Ethyl glycolate ,98%ETHYL2-HYDROXYACETATE

BRN 17437664-03-00-00580 (Beilstein Handbook Reference)RefChem:596202Acetic acid, hydroxy, ethyl esterAcetic acid, 2hydroxy, ethyl esterethyl 2-hydroxyacetateAcetic acid, hydroxy-, ethyl esterMFCD00021970

データベース識別子

CAS: 623-50-7
PubChem CID: 12184
DTXSID: DTXSID5060772
UNII: C306E91WFK
EC Number: 210-798-4
Nikkaji: J53.999F

物性

構造計算による物性

XLogP: -0.2
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: 3
重原子数: 7
形式電荷: 0
複雑度: 60

実験および物理化学的性質

Chemical ClassesOther Classes -> Esters, Other

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

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionClear colorless liquid; [Acros Organics MSDS]

物理化学的性質

融点: 300 °C · >300 °C
沸点: 158 · 158-159 °C (lit.)
比重(密度): 1.1 g/mL · 1.1 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.419(lit.)
闪点: 143 °F · 143 °F
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム、メタノール（微量）
酸解離定数(Pka): 13.14 · 13.14±0.10(Predicted)
外見: 液体
色: 無色
臭い (Odor): Peculiar ethereal, weedy-winey odour, often classified as "Spearmint-like".
水溶解度: 50 ℃以上で重合可能。 · 水、アルコール、アセトン、アセテートに易溶、エーテルに難溶、炭化水素系溶媒に難溶、50℃以上で重合可能。
InChI: 1S/C4H8O3/c1-2-7-4(6)3-5/h5H,2-3H2,1H3
InChIKey: ZANNOFHADGWOLI-UHFFFAOYSA-N
SMILES: CCOC(=O)CO
CAS データベース: 623 · 623-50-7(CAS DataBase Reference)
NISTの化学物質情報: Acetic acid, hydroxy-, ethyl ester(623-50-7)
EPAの化学物質情報: Acetic acid, hydroxy-, ethyl ester (623-50-7)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryA mild eye irritant in guinea pigs; Causes general anesthesia, muscle weakness, and cyanosis in intraperitoneal lethal-dose studies of rats (LDLo = 1,500 mg/kg); [RTECS] An irritant; [Acros Organics MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

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...Ethyl Glycolate...

Safe for use in cosmetics, with qualifications

安全データ

wgk: 3
tsca: TSCA listed
rtecs: MC5410000
ridadr: 1993
hs_code: 29181990
risk_code: 36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36/37/39-37/39
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesCIR ingredient: Ethyl Glycolate

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

応用分野 · 3 件

用途有機合成原料。

使用Ethyl glycolate, is an important building block for the preparation of agrochemicals and medicinal compounds. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dye stuff. It is also used in synthetic chemistry, discovery process and R&D. It also can be used as solvents.

一般的な説明Ethyl glycollate is an ester. Microwave spectra of ethyl glycollate and its deuterated species has been reported.

調製方法

The corresponding acid occurs in unripe Grapes. Ethyl glycolate is produced from Ethylene glycol by oxidation to Glycoiiic acid, followed by esterification.