기본 정보
- CAS
6090-09-1- 표준 SMILES
CC(=O)C1CC=C(C)CC1- InChIKey
HOBBEYSRFFJETF-UHFFFAOYSA-N- 분자식
- C9H14O
- 평균 분자량
- 138.21 g/mol
- 단동위원소 질량
- 138.10446507
개요
4-Acetyl-1-methylcyclohexene is a ketone.
이름 및 식별자
- 우선 이름
- 4-Acetyl-1-methylcyclohexene
- IUPAC
- 1-(4-methylcyclohex-3-en-1-yl)ethanone
- 현지명
- 4-아세틸-1-메틸-1-시클로헥센
- 영어명
- 4-acetyl-1-methyl-1-cyclohexene
- 분자식
- C9H14O
- 분자량
- 138.21
이름 및 동의어
6090-09-14-Acetyl-1-methylcyclohexene1-(4-methylcyclohex-3-en-1-yl)ethan-1-oneX7R8GY320M1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONEFEMA NO. 4827DTXSID20867915AMCH cpdRefChem:425840DTXCID20816064833-278-44-Acetyl-1-methyl-1-cyclohexene
이름 더 보기
4-아세틸-1-메틸-1-사이클로헥센1-Methyl-4-acetylcyclohexeneMethyl(4-methyl-3-cyclohexenyl) ketone4-Methyl-3-cyclohexen-1-yl methyl ketone1-Methyl-1-cyclohexene-4-yl(methyl) ketone4'-Methyl-1',2',3',6'-tetrahydroacetophenone
1-(4-methylcyclohex-3-en-1-yl)ethanone1-(4-Methyl-3-cyclohexen-1-yl)ethanoneLimona ketoneEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-MFCD000106121-Methyl-4-acetyl-1-cyclohexeneCyclohexene, 1-methyl-4-acetylCyclohexene, 4-acetyl-1-methyl
데이터베이스 식별자
- CAS
6090-09-1、70286-20-3- PubChem CID
- 93019
- DTXSID
DTXSID20867915- ChEMBL
CHEMBL1990994
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 168
물리화학적 성질
- 끓는 점
- 189.5 · 189.5±0.0℃ (760 Torr)
- 밀도
- 0.9385 g/cm3 · 0.9385 g/cm3 (20 ºC)
- 굴절률
- 1.471 · 1.4710 (589.3 nm 20℃)
- FEMA
- 4827 · 4827 | 1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONE
- 인화점
- 76.7 · 76.7±0.0℃
- 저장 조건
- Sealed in dry,Room Temperature
- LogP
- 2.19 · 2.190 (est)
- EPA
- 4 · 4-Acetyl-1-methylcyclohexene (6090-09-1)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
General Manufacturing InformationEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-: ACTIVE
응용 분야
용도1-(4-methyl-3-cyclohexen-1-yl)ethanone is an essential oil found in Cedrus atlantica wood and orange peels.
상·하류 제품 정보
상류 원료
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
관련 반응
2건
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