Butyl Glycolate (HCID 81882)

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...Butyl Glycolate...

名称と識別子

優先名称: Butyl Glycolate
IUPAC: butyl 2-hydroxyacetate
現地名: グリコール酸ブチル
英語名: Butyl hydroxyacetate
分子式: C6H12O3
分子量: 132.16

名称と別名

Butyl glycolatebutyl 2-hydroxyacetate7397-62-8Butyl hydroxyacetateAcetic acid, hydroxy-, butyl estern-butyl glycolateDTXSID60447253H5QAS0HZXAcetic acid, 2-hydroxy-, butyl esterUNII-3H5QAS0HZXGlycolic acid, butyl esterEINECS 230-991-7

名称をさらに表示

グリコール酸ブチルヒドロキシ酢酸ブチル2-ヒドロキシ酢酸ブチルブチル 2-ヒドロキシアセタートPolysolvan OButyl hydroxyacetate ISO 9001：2015 REACHPolysolvan 0butyl glycollateButhyl Glycolate

BUTOXYCARBONYLMETHANOLAI3-07975DTXCID4024725EC 230-991-7RefChem:122255BUTYL GLYCOLATE [INCI]230-991-7VFGRALUHHHDIQI-UHFFFAOYSA-N

データベース識別子

CAS: 7397-62-8
PubChem CID: 81882
DTXSID: DTXSID6044725
ChEMBL: CHEMBL3184386
UNII: 3H5QAS0HZX
EC Number: 230-991-7
Nikkaji: J39.924H

物性

構造計算による物性

XLogP: 0.7
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: 5
重原子数: 9
形式電荷: 0
複雑度: 80.4

実験および物理化学的性質

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

SpringerMaterials PropertiesSurface tension

物理化学的性質

沸点: 187 · 187-190 °C(lit.)
比重(密度): 1.019 g/mL · 1.019 g/mL at 20 °C(lit.)
蒸気圧: 1.3 hPa · 1.3hPa at 20℃
屈折率: 20 · n20/D 1.427
闪点: 74 °C · 74 °C
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 12.99 · 12.99±0.10(Predicted)
水溶解度: 46 g/L · 46g/L at 20℃
BRN: 1749477 · 1749477
化粧品成分の機能: スキンコンディショニング
InChI: InChI=1S/C6H12O3/c1-2-3-4-9-6(8)5-7/h7H,2-5H2,1H3
InChIKey: VFGRALUHHHDIQI-UHFFFAOYSA-N
SMILES: C(OCCCC)(=O)CO
LogP: 0.38 at · 0.38 at 25℃
CAS データベース: 7397 · 7397-62-8(CAS DataBase Reference)
NISTの化学物質情報: Butyl glycolate(7397-62-8)
EPAの化学物質情報: Acetic acid, hydroxy-, butyl ester (7397-62-8)

化学的性質

化学的特性Colorless Transparent Liquid. n-Butyl glycolate is a colorless liquid, which is miscible with most organic solvents. The solubility in water is limited to 8 wt % (20 C), although the compound itself may contain up to 25 wt % water.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.2% (6 of 2726) of reports.

Danger

H318 (99.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 2726 reports by companies from 12 notifications to the ECHA C&L Inventory.

Warning

危険有害性情報

Regulatory Information · 3 件

Chemical: Acetic acid, hydroxy-, butyl ester

Status: Active Update: 17-01-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23612

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

Hazard Classes and Categories · 2 件

Eye Dam. 1 (99.8%)

Flammable liquids - Category 4

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...Butyl Glycolate...

Safe for use in cosmetics, with qualifications

安全データ

wgk: 1
tsca: TSCA listed
ridadr: NA 1993 / PGIII
risk_code: 63-41
hazard_code: Xn
safety_code: 23-24/25-36/37/39-26
Hazard Classifications: Eye Dam. 1Repr. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesCIR ingredient: Butyl Glycolate

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

応用分野 · 3 件

用途ラッカー塗料用溶媒

使用Butyl glycolate may be used in the preparation of N-(α-hydroxyacetyl)-(S)-isoleucine. n-Butyl glycolate is used primarily as a varnish additive, valued because of its low volatility. Trade names include PolysolvanO (Hoechst) and GB-Ester (Wacker). It confers smooth spreading properties and high gloss on nitrocellulose varnish. For acetyl cellulose, it is effective as a blush inhibitor under conditions of high humidity. Due to its good blending properties, n-butyl glycolate is also used as an additive in alkyd resins and oil-based paints.

一般的な説明Butyl glycolate is a glycolic acid derivative.

調製方法 · 1 件

純化方法Dissolve in CHCl3 (EtOH-free), wash with 5% KHCO3 until effervescence ceases (if free acid is present), dry over CaCl2, filter, evaporate and distil through a short column. [B.hme & Opfer Z Anal Chem 139 255 1953, Filachione et al. J Am Chem Soc 73 5265 1951, Beilstein 3 IV 589.]