HCID114659

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

3-(4-tert-butylphenyl)-2-methylprop-2-enal

C14H18O202.29 g/molCAS 13586-68-0

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IDENTITY

结构与身份

标准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
单同位素质量: 202.13576519

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 3
重原子: 15
形式电荷: 0
复杂度: 237

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

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

Hazard Classes and Categories

Repr. 2 (98.1%)；Aquatic Acute 1 (98.1%)；Aquatic Chronic 1 (98.1%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

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

USES

用途与制造

来源：PubChem

General Manufacturing Information

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

ALIASES

名称与别名

共 17 条

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-butylcinnamaldehyde3-(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

REACTIONS