Ethyl vanillate

HCID 12038CAS 617-05-0
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기본 정보

표준 SMILES
CCOC(=O)c1ccc(O)c(OC)c1
InChIKey
MWAYRGBWOVHDDZ-UHFFFAOYSA-N
분자식
C10H12O4
평균 분자량
196.2 g/mol
단동위원소 질량
196.07355886

개요

Ethyl vanillate is a methoxybenzoic acid.

이름 및 식별자

우선 이름
Ethyl vanillate
IUPAC
ethyl 4-hydroxy-3-methoxybenzoate
영어명
Ethyl 4-hydroxy-3-methoxybenzoate
분자식
C10H12O4
분자량
196.2

이름 및 동의어

Ethyl vanillateEthyl 4-hydroxy-3-methoxybenzoate4-Hydroxy-3-methoxybenzoic acid ethyl esterVANILLIC ACID, ETHYL ESTERBenzoic acid, 4-hydroxy-3-methoxy-, ethyl ester3-Methoxy-4-hydroxybenzoic acid, ethyl esterm-Anisic acid, 4-hydroxy-, ethyl esterNSC 8513EINECS 210-503-9UNII-V38JK4Z93OBRN 2100025V38JK4Z93O
이름 더 보기
ERLOTINIBIM-UERLOTINIBIM-DEthyl VanillatEthyl vanilate2-IodoanillineEthylvanillate,97%RARECHEM AL BI 0101TIMTEC-BB SBB005892VANILIC ACID ETHYL ESTER
AI3-06151NSC-8513DTXSID20606703-10-00-01413 (Beilstein Handbook Reference)ETHYL-4-HYDROXY-3-METHOXYBENZOATERefChem:139072DTXCID30431004-Hydroxy-3-methoxybenzoate ethyl ester

데이터베이스 식별자

CAS
617-05-0
PubChem CID
12038
DTXSID
DTXSID2060670
ChEMBL
CHEMBL4206971
ChEBI
CHEBI:181310
UNII
V38JK4Z93O
EC Number
210-503-9
Nikkaji
J21.705K

물성

구조 계산 물성

XLogP
2.1
극성 표면적
55.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
14

실험 및 물리화학적 성질

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점
43 · 43-45°C
끓는 점
108 · 108-110 °C (2 mmHg)
밀도
1.2166 · 1.2166 (rough estimate)
굴절률
1.543 · 1.5430 (estimate)
인화점
293 °C · 293°C
저장 조건
Inert atmosphere,Room Temperature

화학적 성질

Solid. Insoluble in water; soluble in alcohol and ether.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 70.3% (90 of 128) of all reports.

Warning

H302 (29.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 128 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (29.7%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
YW5425000
HS 번호
29189900
risk_code
22-36/37/38
hazard_code
Xn

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-hydroxy-3-methoxy-, ethyl ester: ACTIVE

응용 분야

용도Food preservative, medicine, sunburn preventive.

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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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