CAS 20329-96-8 Methyl 3,4,5-trimethoxycinnamate (HCID 735846)

基本情報

CAS: 20329-96-8
標準SMILES: COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
InChIKey: KLXHCGFNNUQTEY-AATRIKPKSA-N
分子式: C13H16O5
平均分子量: 252.26 g/mol
単同位体質量: 252.09977361

概要

Methyl-3,4,5-trimethoxy cinnamate is an alkyl cinnamate obtained by the formal condensation of the carboxy group of 3,4,5-trimethoxycinnamic acid with methanol. It is an alkyl cinnamate and a member of methoxybenzenes.

名称と識別子

優先名称: Methyl 3,4,5-trimethoxycinnamate
IUPAC: methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
現地名: TRANS-3,4,5-トリメトキシけい皮酸メチル
英語名: METHYL 3,4,5-TRIMETHOXYCINNAMATE
分子式: C13H16O5
分子量: 252.26

名称と別名

Methyl 3,4,5-trimethoxycinnamateDTXSID001289631Methyl (E)-3,4,5-trimethoxycinnamateRefChem:814643DTXCID501720252672-252-520329-96-87560-49-8methyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoatemethyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, (2E)-(E)-Methyl 3-(3,4,5-trimethoxyphenyl)acrylate

名称をさらに表示

TRANS-3,4,5-トリメトキシけい皮酸メチル5-TRIMETHOXYCINNAMATEMETHYL TRIMETHOXYCINNAMATE3,4,5-Trimethyl-methylcinnamateMethyl 3,4,5-TriMethyl cinnaMateMethyl 3,4,5-Trimethoxycinnamate,>98%Methyl trans-3,4,5-trimethoxycinnamateMethyl 3,4,5-trimethoxy-trans-cinnamate

3,4,5-Trimethoxybenzeneacrylic acid methyl esterMethyl trans-3-(3,4,5-trimethoxyphenyl)acrylateMFCD03614740(E)-Methyl 3,4,5-trimethoxycinnamateCinnamic acid, 3,4,5-trimethoxy-, methyl estermethyl-3,4,5-trimethoxy cinnamateNSC648088Methyl 3-(3,4,5-trimethoxyphenyl)acrylate

物性

構造計算による物性

XLogP: 2.1
極性表面積: 54 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 6
重原子数: 18
形式電荷: 0
複雑度: 275

実験および物理化学的性質

Melting Point99 - 100 °C

Physical DescriptionSolid

物理化学的性質

融点: 91 · 91-92℃
沸点: 371 ℃ · 371℃
比重(密度): 1.134 · 1.134
闪点: 164 ℃ · 164℃
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
色: White to Off-White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (50%)

安全データ

hs_code: 2916399090

化学と産業

薬理情報

Cellular LocationsMembrane

上流・下流製品情報

下流製品

3-(3,4,5-トリメトキシフェニル)-2-プロペン-1-オール

サプライヤー41 社

上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]

成都普睿法药物研发有限公司82633860 18982077548 · [email protected]

烟台盛凯伦生物制品有限公司13356901049 · [email protected]

化合物ノート

読み込み中…

TRANS-3,4,5-トリメトキシけい皮酸メチル