基本情報
- CAS
68259-33-6- 標準SMILES
CC(=O)C1CC2=C(C)CC1C(C(C)C)C2- InChIKey
GNALWRWCIFZYEK-UHFFFAOYSA-N- 分子式
- C14H22O
- 平均分子量
- 206.32 g/mol
- 単同位体質量
- 206.16706532
名称と識別子
- 優先名称
- Ethanone, 1-(5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-
- IUPAC
- 1-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-4-enyl)ethanone
- 現地名
- 1-｛7（または8）-イソプロピル-5（または6）-メチルビシクロ［2．2．2］オクタ-5-エン-2-イル｝エタノン
- 英語名
- FELVINONE
- 分子式
- C14H22O
- 分子量
- 206.32
名称と別名
68259-33-6Ethanone, 1-(5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-EINECS 269-524-71-(5(Or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethan-1-oneEthanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-oneRefChem:592505Ethanone, 1-5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-269-524-71-(5-methyl-7-propan-2-yl-2-bicyclo[2.2.2]oct-4-enyl)ethanone7- and 8-Acetyl-5-isopropyl-2-methylbicyclo(2.2.2)oct-2-eneSCHEMBL3506515
名称をさらに表示
1-｛7（または8）-イソプロピル-5（または6）-メチルビシクロ［2．2．2］オクタ-5-エン-2-イル｝エタノンwoody octeneFELVINONEethanone,1-[5(or6)-methyl-7(or7(8)-Acetyl-5-isopropyl-2-methylbicyclo[2.2.2]-2-octeneethanone,1-[5(or6)-methyl-7(or8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]1-[5(or6)-methyl-7(or8)-(1-methylethyl)bicyclo[2.2.2.]oct-5-en-2-yl]-Ethanone
物性
構造計算による物性
- XLogP
- 2.4
- 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
- 15
- 形式電荷
- 0
- 複雑度
- 311
実験および物理化学的性質
FragrancesFragrance Ingredient (1-[5(Or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethan-1-one) -> IFRA transparency List
物理化学的性質
- 臭い (Odor)
- 100 %で。ウッディクリーンスパイシーバルサム · 100.00%で。ウッディクリーンスパイシーバルサム
- においのタイプ
- 木質の
- 化粧品成分の機能
- 香料
- LogP
- 3.688 · 3.688 (est)
- EPAの化学物質情報
- 1 · Ethanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]- (68259-33-6)
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 100% (1545 of 1545) of all reports.
Not Classified
Aggregated GHS information provided per 1545 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
Ethanone, 1-5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-[5(or 6)-methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-: ACTIVE
サプライヤー2 社
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
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