基本情報
- CAS
19894-99-6- 標準SMILES
CC1(C)[C@H]2C[C@@H]3O[C@]3(C)[C@@H]1C2- InChIKey
NQFUSWIGRKFAHK-BDNRQGISSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
概要
(1R-(1alpha,2beta,4beta,6alpha))-2,2,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octane has been reported in Pistacia atlantica and Ganoderma lucidum with data available.
名称と識別子
- 優先名称
- (1R-(1alpha,2beta,4beta,6alpha))-2,2,7-trimethyl-3-oxatricyclo(4.1.1.02,4)octane
- IUPAC
- (1R,2R,4S,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
名称と別名
(1r,2r,4s,6r)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane(1R-(1alpha,2beta,4beta,6alpha))-2,2,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octaneEINECS 243-411-2EC 243-411-2[1R-(1alpha,2beta,4beta,6alpha)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane(1R,2R,4S,6R)-2,7,7-Trimethyl-3-oxatricyclo(4.1.1.02,4)octaneRefChem:68375243-411-219894-99-6(-)-alpha-pinene oxideNQFUSWIGRKFAHK-BDNRQGISSA-NSCHEMBL15756201
名称をさらに表示
DTXSID701036142AKOS006292581NS00007940ST50330609(1R,2R,4S,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0,octane(4S,1R,2R,6R)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0<2,4>]octane
データベース識別子
- CAS
19894-99-6- PubChem CID
- 88303
- DTXSID
DTXSID701036142- EC Number
- 243-411-2
- Nikkaji
- J269.364J
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 12.5 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
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 221
安全と法規制
GHS分類
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P316, P319, P321, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationREACH registered substance: [1R-(1α,2β,4β,6α)]-2,2,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane (EC: 243-411-2)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…