2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-

HCID 114659

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 13586-68-0
標準SMILES: CC(C=O)=Cc1ccc(C(C)(C)C)cc1
InChIKey: ZZSXZEFWZXSQPX-UHFFFAOYSA-N
分子式: C14H18O
平均分子量: 202.29 g/mol
単同位体質量: 202.13576519

名称と識別子

優先名称: 2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-
IUPAC: 3-(4-tert-butylphenyl)-2-methylprop-2-enal

名称と別名

2-Propenal, 3-[4-(1,1-dimethylethyl)phenyl]-2-methyl-13586-68-0DTXSID7065546EINECS 237-014-32-Propenal, 3-(4-(1,1-dimethylethyl)phenyl)-2-methyl-Cinnamaldehyde, p-tert-butyl-alpha-methyl-RefChem:266184DTXCID70343353-(4-tert-butylphenyl)-2-methylprop-2-enalSCHEMBL119154AKOS017547844alpha-methyl-4-tert-butylcinnamaldehyde

名称をさらに表示

3-(p-tert.butyl-phenyl)-2-methyl-acroleinDB-0631021-(p-tert.butylphenyl)-2-formyl-1-propene3-(4-tert.-butylphenyl)-2-methylprop-2-enal3-p-tertiary butylphenyl-2-methyl-prop-2-enal

データベース識別子

CAS: 13586-68-0
PubChem CID: 114659
DTXSID: DTXSID7065546
EC Number: 237-014-3

物性

構造計算による物性補完中

XLogP: 3.9
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: 3
重原子数: 15
形式電荷: 0
複雑度: 237

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H361 (98.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.