기본 정보
- 표준 SMILES
C=CCC1=C(C)C(O)CC1=O- InChIKey
KZYVOZABVXLALY-UHFFFAOYSA-N- 분자식
- C9H12O2
- 평균 분자량
- 152.19 g/mol
- 단동위원소 질량
- 152.08372962
개요
2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one has been reported in Zanthoxylum simulans with data available.
이름 및 식별자
- 우선 이름
- 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-
- IUPAC
- 4-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-one
- 영어명
- 2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
- 분자식
- C9H12O2
- 분자량
- 152.19
이름 및 동의어
Allethrolone29605-88-74-hydroxy-3-methyl-2-prop-2-enylcyclopent-2-en-1-oneNSC-421928S434R5MLE2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-DTXSID80885458RefChem:110763DTXCID901009701249-724-0Allethrolon2-Allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one
이름 더 보기
NSC42192NSC 42192Allethrelone(R,S)-Allethrolone(+/-)-2-CYCLOPENTEN-1-ON()-2-allyl-4-hydroxy-3-methylcyclopent-2-en-1-one(±)-2-allyl-4-hydroxy-3-methylcyclopent-2-en-1-oneR，S-2-methyl-3-(2-propynyl)-4-oxo cyclopent-2-enol
551-45-12-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-4-hydroxy-3-methyl-2-(prop-2-en-1-yl)cyclopent-2-en-1-one4-Hydroxy-3-methyl-2-(2-propenyl)-2-cyclopentene-1-one(1)-2-Allyl-4-hydroxy-3-methylcyclopent-2-en-1-one2-Cyclopenten-1-one, 2-allyl-4-hydroxy-3-methyl-Allethrolone (VAN)4-hydroxy-3-methyl-2-prop-2-enyl-cyclopent-2-en-1-one
데이터베이스 식별자
- CAS
29605-88-7、551-45-1- PubChem CID
- 11083
- DTXSID
DTXSID80885458- UNII
- 8S434R5MLE
- EC Number
- 249-724-0、684-367-8
- Nikkaji
- J68.884C
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 226
물리화학적 성질
- 끓는 점
- 100 · 100-103 °C(Press: 0.15 Torr)
- 밀도
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.94 · 12.94±0.60(Predicted)
- LogP
- 0.42 · 0.420 (est)
- EPA
- 2 · 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)- (29605-88-7)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
유해성 정보
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Acute Tox. 4 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2001-3-1911
화학 및 산업
용도 및 제조
General Manufacturing Information2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propen-1-yl)-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사1 곳
上海维勒化工科技有限公司[email protected]
관련 반응
33건
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