Guaiacyl acetate

HCID 61155CAS 613-70-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccccc1OC(C)=O
InChIKey
BHJHPYFAYGAPLS-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

개요

Guaicyl acetate is a member of phenols and a benzoate ester.

이름 및 식별자

우선 이름
Guaiacyl acetate
IUPAC
(2-methoxyphenyl) acetate
영어명
2-METHOXYPHENYL ACETATE
분자식
C9H10O3
분자량
166.17

이름 및 동의어

2-Methoxyphenyl acetate613-70-7Guaiacol acetateGuaiacyl acetate1-Acetoxy-2-methoxybenzeneo-AcetoxyanisoleAcetyl guaiacolPhenol, 2-methoxy-, acetateo-Anisyl acetateo-METHOXYPHENYL ACETATEPhenol, 2-methoxy-, 1-acetatePhenol, o-methoxy-, acetate
이름 더 보기
EucolFEMA 3687O-ACETYLGUAIACOL2-GUAIACOL ACETATEGlycerol Impurity 432-methoxy-phenoacetate
FEMA No. 3687NSC 3831K5YN7743HCNSC-3831EINECS 210-350-8AI3-10032GUAIACYL ACETATE [FHFI]DTXSID80862289

데이터베이스 식별자

CAS
613-70-7
PubChem CID
61155
DTXSID
DTXSID80862289
ChEBI
CHEBI:193709
UNII
K5YN7743HC
EC Number
210-350-8
Nikkaji
J31.560E

물성

구조 계산 물성

XLogP
1.4
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
12

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient
LogP1.38
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.127-1.134
Flavoring AgentsEU Flavoring substances
Solubility · 2건

insoluble to slightly soluble in water

miscible (in ethanol)

물리화학적 성질

녹는점
31.5 °C · 31.5°C
끓는 점
122 · 122-124 °C18 mm Hg(lit.)
밀도
1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.514(lit.)
FEMA
3687 · 3687 | GUAIACYL ACETATE
인화점
230 °F · >230 °F

화학적 성질

Guaiacyl acetate has an odor similar to that of guaiacol.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 77.6% (90 of 116) of all reports.

Warning

H315 (22.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: Phenol, 2-methoxy-, acetate

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Phenol, 2-methoxy-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 2-methoxy-, acetate: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (22.4%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29153900
위험 등급
IRRITANT
기존화학 물질
KE-23357

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 6건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPhenol, 2-methoxy-, 1-acetate: INACTIVE

응용 분야

개요Guaiacyl acetate has an odor similar to that of guaiacol. It may be synthesized from guaiacol and excess acetic anhydride in the presence of trace amounts of H2S04.

출처Reported found in cocoa

제조 방법

From guaiacol and excess acetic anhydride in the presence of trace amounts of H2SO4.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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