基本情報
- CAS
68901-22-4- 標準SMILES
CC1CC(CC2C3CCC(C3)C2(C)C)CCC1=O- InChIKey
TUCJTYGBRWODLS-UHFFFAOYSA-N- 分子式
- C17H28O
- 平均分子量
- 248.4 g/mol
- 単同位体質量
- 248.21401551
名称と識別子
- 優先名称
- 4-((3,3-Dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methylcyclohexanone
- IUPAC
- 4-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2-methylcyclohexan-1-one
名称と別名
68901-22-4Cyclohexanone, 4-((3,3-dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methyl-Cyclohexanone, 4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methyl-RefChem:5091054-((3,3-Dimethylbicyclo(2.2.1)hept-2-yl)methyl)-2-methylcyclohexanone272-665-72-Methyl-4-(camphenyl-8)-cyclohexanone4-((3,3-dimethylbicyclo[2.2.1]heptan-2-yl)methyl)-2-methylcyclohexan-1-oneEINECS 272-665-7SCHEMBL1793773TUCJTYGBRWODLS-UHFFFAOYSA-N2-methyl-4-(camphenyl-8) cyclohexanone
名称をさらに表示
NS00012270
データベース識別子
- CAS
68901-22-4- PubChem CID
- 111416
- EC Number
- 272-665-7
- Nikkaji
- J332.717E
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 344
実験および物理化学的性質
FragrancesFragrance Ingredient (2-Methyl-4-(camphenyl-8)-cyclohexanone) -> 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
This chemical does not meet GHS hazard criteria for 68.7% (79 of 115) of all reports.
Warning
H317 (31.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Cyclohexanone, 4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methyl-
Cyclohexanone, 4-(3,3-dimethylbicyclo2.2.1hept-2-yl)methyl-2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (31.3%)
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanone, 4-[(3,3-dimethylbicyclo[2.2.1]hept-2-yl)methyl]-2-methyl-: ACTIVE
関連反応
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化合物ノート
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