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뷰틸 글리콜산

Butyl Glycolate

HCID 81882
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
7397-62-8
표준 SMILES
CCCCOC(=O)CO
InChIKey
VFGRALUHHHDIQI-UHFFFAOYSA-N
분자식
C6H12O3
평균 분자량
132.16 g/mol
단동위원소 질량
132.07864424

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...Butyl Glycolate...

이름 및 식별자

우선 이름
Butyl Glycolate
IUPAC
butyl 2-hydroxyacetate
현지명
뷰틸 글리콜산
영어명
Butyl hydroxyacetate
분자식
C6H12O3
분자량
132.16

이름 및 동의어

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
이름 더 보기
뷰틸글리콜산뷰틸글리콜산(BUTYLGLYCOLATE)부틸하이드록시아세테이트Polysolvan OButyl hydroxyacetate ISO 9001:2015 REACHPolysolvan 0butyl glycollateButhyl Glycolate
BUTOXYCARBONYLMETHANOLAI3-07975DTXCID4024725EC 230-991-7RefChem:122255BUTYL GLYCOLATE [INCI]230-991-7VFGRALUHHHDIQI-UHFFFAOYSA-N

데이터베이스 식별자

CAS
7397-62-8
PubChem CID
81882
DTXSID
DTXSID6044725
ChEMBL

물성

구조 계산 물성

XLogP
0.7
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
9
형식 전하
0
복잡도
80.4

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
187 · 187-190 °C(lit.)
밀도
1.019 g/mL · 1.019 g/mL at 20 °C(lit.)
증기압
1.3 hPa · 1.3hPa at 20℃
굴절률
20 · n20/D 1.427
인화점
74 °C · 74 °C
저장 조건
2 · 2-8°C
산도 계수 (pKa)
12.99 · 12.99±0.10(Predicted)
수용성
46 g/L · 46g/L at 20℃
BRN
1749477 · 1749477
화장품 원료 기능
피부 컨디셔닝
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℃

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 3건

Chemical: Acetic acid, hydroxy-, butyl ester

REACH registered substance: Butyl glycollate (EC: 230-991-7)

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

Hazard Classes and Categories · 2건

Eye Dam. 1 (99.8%)

Flammable liquids - Category 4

독성 정보

Toxicity Summary · 2건

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

화학 및 산업

용도 및 제조

UsesCIR ingredient: Butyl Glycolate
General Manufacturing InformationAcetic acid, 2-hydroxy-, butyl ester: ACTIVE
응용 분야 · 2건

용도Butyl 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.

일반 설명Butyl glycolate is a glycolic acid derivative.

상·하류 제품 정보

상류 원료

히드록시아세트산, 나트륨 염글리콜산n-부탄올

관련 반응

25건
반응 기록 만들기
HRID 4370 반응식
HRID 4370반응물로uspto-grants-1988_02
HRID 128510 반응식
HRID 128510반응물로uspto-grants-1995_11
HRID 159034 반응식
HRID 159034반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 170130 반응식
HRID 170130반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 260951 반응식
HRID 260951반응물로uspto-grants-1996_06
HRID 304564 반응식
HRID 304564반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 324272 반응식
HRID 324272반응물로uspto-grants-2001_04
HRID 849923 반응식
HRID 849923반응물로uspto-grants-2000_01
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화합물 노트

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CHEMBL3184386
UNII
3H5QAS0HZX
EC Number
230-991-7
Nikkaji
J39.924H
NIST
Butyl glycolate(7397-62-8)
EPA
Acetic acid, hydroxy-, butyl ester (7397-62-8)

화학적 성질

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.

안전 데이터

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
기존화학 물질
KE-20316
Hazard Classifications
Eye Dam. 1Repr. 2
스토리지 클래스
10 - Combustible liquids