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

HCID 114659CAS 13586-68-0

기본 정보

표준 SMILES: CC(C=O)=Cc1ccc(C(C)(C)C)cc1
InChIKey: ZZSXZEFWZXSQPX-UHFFFAOYSA-N
분자식: C14H18O
평균 분자량: 202.29 g/mol
단동위원소 질량: 202.13576519

이름 및 식별자

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

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

안전 및 규제

GHS 분류

GHS Classification · 5건

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.