메틸호모베라트레이트

Benzeneacetic acid, 3,4-dimethoxy-, methyl ester

HCID 85213CAS 15964-79-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)Cc1ccc(OC)c(OC)c1
InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N
분자식: C11H14O4
평균 분자량: 210.23 g/mol
단동위원소 질량: 210.08920893

이름 및 식별자

우선 이름: Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
IUPAC: methyl 2-(3,4-dimethoxyphenyl)acetate
현지명: 메틸호모베라트레이트
영어명: METHYL HOMOVERATRATE
분자식: C11H14O4
분자량: 210.23

이름 및 동의어

15964-79-1Benzeneacetic acid, 3,4-dimethoxy-, methyl esterMethyl 3,4-dimethoxyphenylacetateHomoveratric acid, methyl esterEINECS 240-100-3AI3-10503DTXSID5065982RefChem:562850DTXCID7035141240-100-3methyl 2-(3,4-dimethoxyphenyl)acetateMETHYL HOMOVERATRATE

이름 더 보기

메틸호모베라트레이트ASISCHEM P46906Homoveratric acid methylMethyl 2-(3,4-dimethoxyphenyl)VERATRYLACETIC ACID METHYL ESTERMETHYL 3,4-DIMETHOXYPHENYL ACETATEMethyl homoveratrate, 10 mM in DMSO

3,4-DIMETHOXYPHENYLACETIC ACID METHYL ESTERMethyl (3,4-dimethoxyphenyl)acetateMFCD00017206Acetic acid, (3,4-dimethoxyphenyl)-, methyl ester2-(3,4-Dimethoxyphenyl)ethanoic Acid Methyl Ester; 3,4-Dimethoxyphenylacetic Acid Methyl Ester; Homoveratric Acid Methyl Ester; Methyl (3,4-Dimethoxyphenyl)acetate; Methyl 2-(3,4-Dimethoxyphenyl)acetateGUW5AW3B4Z(3,4-dimethoxyphenyl)acetic acid methyl ester2-(3,4-Dimethoxyphenyl)ethanoic acid methyl ester

데이터베이스 식별자

CAS: 15964-79-1
PubChem CID: 85213
DTXSID: DTXSID5065982
ChEMBL: CHEMBL3289680
UNII: GUW5AW3B4Z
EC Number: 240-100-3
Nikkaji: J47.238G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 44.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 175 ℃ · 175℃ (15 Torr)
밀도: 1.105 · 1.105±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.5253 · 1.5253 (23℃)
인화점: 121.6 · 121.6±23.2℃
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
EPA: 3 · Benzeneacetic acid, 3,4-dimethoxy-, methyl ester (15964-79-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.