CAS 1504-75-2 p-Methylcinnamaldehyde (HCID 5371802)

概要

3-(4-Methylphenyl)-2-propenal is a member of cinnamaldehydes.

名称と識別子

優先名称: p-Methylcinnamaldehyde
IUPAC: (E)-3-(4-methylphenyl)prop-2-enal
英語名: 2-PROPENAL, 3-(4-METHYLPHENYL)-,(2E)
分子式: C10H10O
分子量: 146.19

名称と別名

p-Methylcinnamaldehyde4-Methylcinnamaldehyde3-P-Tolylpropenal1504-75-22-Propenal, 3-(4-methylphenyl)-FEMA No. 3640Cinnamaldehyde, p-methyl-3-(P-Methylphenyl)propenalp-methyl cinnamaldehydeMethylcinnamaldehyde, p-9006RI7I1EP-METHYL CINNAMALDEHYDE [FHFI]

名称をさらに表示

(E)-p-Methylcinnamaldehyde(E)-4-Methylcinnamaldehyde(E)-3-p-tolylacrylaldehyderans-4-Methylcinnamaldehydetrans-p-Methylcinnamaldehydetrans-4-Methylcinnamaldehyde(E)-3-(4-Methylphenyl)acrolein(E)-3-(4-Methylphenyl)-2-propenal

DTXSID301009872RefChem:8581283-(p-Methylphenyl) propenalDTXCID00811411604-741-6(E)-3-(p-Tolyl)acrylaldehyde56578-35-93-(p-Tolyl)acrylaldehyde

データベース識別子

CAS: 1504-75-2、56578-35-9
PubChem CID: 5371802
DTXSID: DTXSID60862681
ChEMBL: CHEMBL5424444
ChEBI: CHEBI:173613
UNII: 9006RI7I1E
EC Number: 604-741-6
Nikkaji: J1.264.949E、J533.506J

物性

構造計算による物性

XLogP: 2.3
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 141

実験および物理化学的性質

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 件

insoluble in water; moderately soluble in oils

moderately soluble (in ethanol)

Boiling Point · 2 件

154.00 °C. @ 25.00 mm Hg

154 °C (25 mm Hg)

Melting Point41.5 °C

Physical Description · 2 件

Solid

Yellowish crystals

物理化学的性質

融点: 40 · 40-42℃
沸点: 267 ℃ · 267℃
比重(密度): 1.015 · 1.015
闪点: 94 ℃ · 94℃
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
JECFA Number: 682 · 682
InChI: InChI=1S/C10H10O/c1-9-4-6-10(7-5-9)3-2-8-11/h2-8H,1H3/b3-2+
InChIKey: DKOUYOVAEBQFHU-NSCUHMNNSA-N
SMILES: C(=O)/C=C/C1=CC=C(C)C=C1
CAS データベース: 56578 · 56578-35-9

安全と法規制

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Propenal, 3-(4-methylphenyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

2-Propenal, 3-(4-methylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

hs_code: 2912290090
risk_code: 36/38-43
hazard_code: Xi
safety_code: 26-36/37

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Use Classification · 4 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

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化合物ノート

読み込み中…

p-Methylcinnamaldehyde

基本情報

概要