3,4-ジメトキシベンゼン酢酸メチル

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

HCID 85213CAS 15964-79-1

部分構造検索類似構造を探す

基本情報

標準SMILES: COC(=O)Cc1ccc(OC)c(OC)c1
InChIKey: DILOFCBIBDMHAY-UHFFFAOYSA-N
分子式: C11H14O4
平均分子量: 210.23 g/mol
単同位体質量: 210.08920893

名称と識別子

優先名称: Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
IUPAC: methyl 2-(3,4-dimethoxyphenyl)acetate
現地名: 3,4-ジメトキシベンゼン酢酸メチル
英語名: METHYL HOMOVERATRATE
分子式: C11H14O4
分子量: 210.23

名称と別名

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

名称をさらに表示

2-(3,4-ジメトキシフェニル)酢酸メチル3,4-ジメトキシベンゼン酢酸メチル(3,4-ジメトキシフェニル)酢酸メチル3,4-ジメトキシフェニル酢酸メチルホモベラトルム酸メチルASISCHEM 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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.3
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 15
形式電荷: 0
複雑度: 205

物理化学的性質

沸点: 175 ℃ · 175℃ (15 Torr)
比重(密度): 1.105 · 1.105±0.06 g/cm3 (20 ºC 760 Torr)
屈折率: 1.5253 · 1.5253 (23℃)
闪点: 121.6 · 121.6±23.2℃
貯蔵温度: Sealed in dry,Room Temperature
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 油
色: 無色
EPAの化学物質情報: 3 · Benzeneacetic acid, 3,4-dimethoxy-, methyl ester (15964-79-1)

安全と法規制

GHS分類

GHS Classification · 4 件

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.