基本情報
- CAS
27966-26-3- 標準SMILES
CC1=CCC(C(C)C)CC1- InChIKey
FAMJUFMHYAFYNU-UHFFFAOYSA-N- 分子式
- C10H18
- 平均分子量
- 138.25 g/mol
- 単同位体質量
- 138.14085057
概要
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.
名称と識別子
- 優先名称
- p-Menth-1-ene
- IUPAC
- 1-methyl-4-propan-2-ylcyclohexene
名称と別名
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
名称をさらに表示
RefChem:858102DTXCID70812152226-841-51-p-MentheneMenthene1-methyl-4-(propan-2-yl)cyclohex-1-eneNu-Film P.delta.1-p-Menthene
データベース識別子
- 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
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 131
実験および物理化学的性質
Fragrances
Fragrance Ingredient (4-Isopropyl-1-methylcyclohexene) -> IFRA transparency List
Fragrance Ingredient (4-Isopropyl-1-methylcyclohexene) -> IFRA transparency List
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
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%)
化学と産業
用途と製造
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
関連反応
3 件
化合物ノート
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