기본 정보
- CAS
56973-87-6- 표준 SMILES
C=CCCC(=O)C1CCCC(C)(C)C1- InChIKey
OHYNEUHOSWPWLZ-UHFFFAOYSA-N- 분자식
- C13H22O
- 평균 분자량
- 194.31 g/mol
- 단동위원소 질량
- 194.16706532
개요
structure in first source
이름 및 식별자
- 우선 이름
- 1-(3,3-Dimethylcyclohexyl)-pent-4-en-1-one
- IUPAC
- 1-(3,3-dimethylcyclohexyl)pent-4-en-1-one
- 현지명
- 4-펜텐-1-온,1-(3,3-디메틸시클로헥실)-
- 영어명
- 4-Penten-1-one,1-(3,3-dimethylcyclohexyl)-
- 분자식
- C13H22O
- 분자량
- 194.31
이름 및 동의어
1-(3,3-dimethylcyclohexyl)pent-4-en-1-one56973-87-64-Penten-1-one, 1-(3,3-dimethylcyclohexyl)-DTXSID2052231RefChem:422741DTXCID70308021-(3,3-Dimethylcyclohexyl)-pent-4-en-1-one422-330-8EC 422-330-8SCHEMBL112213SCHEMBL279888693,3-dimethyl-1-(4-pentenoyl) cyclohexane
이름 더 보기
4-펜텐-1-온,1-(3,3-디메틸시클로헥실)-1-(3,3-Dimethylcyclohexyl)-4-penten-1-one4-Penten-1-one,1-(3,3-dimethylcyclohexyl)-
NS000054891-(4-PENTENOYL)-3,3-DIMETHYL CYCLOHEXANE
데이터베이스 식별자
- CAS
56973-87-6- PubChem CID
- 6453423
- DTXSID
DTXSID2052231- EC Number
- 422-330-8、687-590-9
- Nikkaji
- J2.583.383J
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 215
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (1-(3,3-Dimethylcyclohexyl)pent-4-en-1-one) -> IFRA transparency List
물리화학적 성질
- 끓는 점
- 266 ℃ · 266℃
- 밀도
- 0.88 · 0.880
- 인화점
- 105 ℃ · 105℃
- 냄새
- 100 %에서 · 100.00%에서. 녹색 갈바넘 과일 파인애플 허브 발사믹 전나무 바늘
- 냄새 유형
- 녹색
- 화장품 원료 기능
- 향수
- LogP
- 3.908 · 3.908 (est)
- EPA
- 4 · 4-Penten-1-one, 1-(3,3-dimethylcyclohexyl)- (56973-87-6)
안전 및 규제
GHS 분류
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 262 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
유해성 정보
Regulatory Information
Chemical: 4-Penten-1-one, 1-(3,3-dimethylcyclohexyl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 08-05-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/9201
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Skin Irrit. 2 (69.4%)
Hazardous to the aquatic environment (chronic) - category 2
Aquatic Chronic 2
안전 데이터
- tsca
- TSCA listed
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
화학 및 산업
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information4-Penten-1-one, 1-(3,3-dimethylcyclohexyl)-: ACTIVE
공급사2 곳
杭州贵驰科技有限公司(+86 571) 2818 0696
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