Benzenepropanal, alpha,alpha,3-trimethyl-

HCID 13797308
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기본 정보

CAS
107737-97-3
표준 SMILES
Cc1cccc(CC(C)(C)C=O)c1
InChIKey
OZGQYEVKWKGACN-UHFFFAOYSA-N
분자식
C12H16O
평균 분자량
176.25 g/mol
단동위원소 질량
176.12011513

이름 및 식별자

우선 이름
Benzenepropanal, alpha,alpha,3-trimethyl-
IUPAC
2,2-dimethyl-3-(3-methylphenyl)propanal

이름 및 동의어

107737-97-3DTXSID101020614Benzenepropanal, .alpha.,.alpha.,3-trimethyl-RefChem:563563DTXCID101478376Benzenepropanal, alpha,alpha,3-trimethyl-600-851-32,2-dimethyl-3-(3-methylphenyl)propanal2,2-dimethyl-3-(3-methylphenyl)-propionaldehydeSCHEMBL1697989SCHEMBL29845719AKOS023879665
이름 더 보기
NS00077780Benzenepropanal, I+/-,aI+/-,a3-atrimethyl-EN300-1218100F2147-6233

데이터베이스 식별자

CAS
107737-97-3
PubChem CID
13797308
DTXSID
DTXSID101020614
EC Number
600-851-3

물성

구조 계산 물성

XLogP
2.9
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Physical DescriptionLiquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzenepropanal, .alpha.,.alpha.,3-trimethyl-

Benzenepropanal, .alpha.,.alpha.,3-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .alpha.,.alpha.,3-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Other Safety InformationEvaluation - Phenyl propanaldehydes
Hazard Classes and CategoriesAcute Tox. 4 (100%)

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesOdor agents
Industry UsesOdor agents
General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

Benzenepropanal, .alpha.,.alpha.,3-trimethyl-: ACTIVE

관련 반응

5건
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