基本情報
- CAS
1139-30-6- 標準SMILES
C=C1CCC2OC2(C)CCC2C1CC2(C)C- InChIKey
NVEQFIOZRFFVFW-UHFFFAOYSA-N- 分子式
- C15H24O
- 平均分子量
- 220.35 g/mol
- 単同位体質量
- 220.18271539
概要
Caryophyllene epoxide is a sesquiterpenoid.
名称と識別子
- 優先名称
- 4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecane
- IUPAC
- 4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane
- 英語名
- 4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane
- 分子式
- C15H24O
- 分子量
- 220.35046
名称と別名
17627-43-94,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-DTXSID508595855-Oxatricyclo(8.2.0.04,6)dodecane, 4,12,12-trimethyl-9-methylene-4,12,12-Trimethyl-9-methylene-5-oxatricyclo(8.2.0.04,6)dodecaneRefChem:506345DTXCID60210426241-609-313877-94-6Caryophyllene epoxideCaryophyllene alpha-oxide
名称をさらに表示
Einecs 241-609-3
4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodecane(-)-Epoxydihydrocaryophylleneb-Caryophyllene Epoxide4,5-epoxy-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecane4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0~4,6~]dodecane4,12,12-TRIMETHYL-9-METHYLIDENE-5-OXATRICYCLO[8.2.0.0?,?]DODECANE4,5-Epoxy-4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undecane(10S,1R,4R,6R)-4,12,12-trimethyl-9-methylene-5-oxatricyclo[8.2.0.0<4,6>]dodeca ne
データベース識別子
- CAS
1139-30-6、13877-94-6、17627-43-9
物性
構造計算による物性
- XLogP
- 3.6
- 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
- 16
- 形式電荷
- 0
- 複雑度
- 330
実験および物理化学的性質
Melting Point63.5 - 64 °C
Physical DescriptionSolid
物理化学的性質
- EPAの化学物質情報
- 5 · 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene- (17627-43-9)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 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 Information
Chemical: 5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsExtracellular
用途と製造
General Manufacturing Information5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-: INACTIVE
サプライヤー1 社
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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