기본 정보
- CAS
27966-26-3- 표준 SMILES
CC1=CCC(C(C)C)CC1- InChIKey
FAMJUFMHYAFYNU-UHFFFAOYSA-N- 분자식
- C10H18
- 평균 분자량
- 138.25 g/mol
- 단동위원소 질량
- 138.14085057
개요
1-methyl-4-(propan-2-yl)cyclohex-1-ene is a monoterpene that is cyclohexene carrying methyl and isopropyl substituents at positions 1 and 4 respectively. It is a cycloalkene and a monoterpene. It derives from a hydride of a p-menthane.
이름 및 식별자
- 우선 이름
- p-Menth-1-ene
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexene
이름 및 동의어
p-Menth-1-eneCyclohexene, 1-methyl-4-(1-methylethyl)-5502-88-5CARVOMENTHENE1-methyl-4-propan-2-ylcyclohexene4-Isopropyl-1-methylcyclohexene1-Methyl-4-isopropyl-1-cyclohexene1-Methyl-4-isopropylcyclohexeneRFR322M42W4-Isopropyl-1-methyl-1-cyclohexeneNSC-96749DTXSID60863552
이름 더 보기
RefChem:858102DTXCID70812152226-841-51-p-MentheneMenthene1-methyl-4-(propan-2-yl)cyclohex-1-eneNu-Film P.delta.1-p-Menthene
데이터베이스 식별자
- CAS
27966-26-3、29350-67-2、5502-88-5- PubChem CID
- 21671
- DTXSID
DTXSID60863552- ChEMBL
CHEMBL5267894- ChEBI
CHEBI:134312- UNII
- RFR322M42W
- EC Number
- 226-841-5、249-579-3
- Nikkaji
- J7.988J
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 131
실험 및 물리화학적 성질
Fragrances
Fragrance Ingredient (4-Isopropyl-1-methylcyclohexene) -> IFRA transparency List
Fragrance Ingredient (4-Isopropyl-1-methylcyclohexene) -> IFRA transparency List
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P272, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1545 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
유해성 정보
Regulatory Information
Chemical: Cyclohexene, 1-methyl-4-(1-methylethyl)-
REACH registered substance: 4-isopropyl-1-methylcyclohexene (EC: 226-841-5)
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information
Cyclohexene, 1-methyl-4-(1-methylethyl)-: INACTIVE
Cyclohexane, 1-methyl-4-(1-methylethyl)-, didehydro deriv.: ACTIVE
관련 반응
3건
화합물 노트
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