Pinocarvone
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基本情報
- CAS
19890-00-7- 標準SMILES
C=C1C(=O)CC2CC1C2(C)C- InChIKey
TZDMGBLPGZXHJI-UHFFFAOYSA-N- 分子式
- C10H14O
- 平均分子量
- 150.22 g/mol
- 単同位体質量
- 150.10446507
概要
Pinocarvone is a bridged compound resulting from rearrangement of carvone. It has a role as a mouse metabolite. It is a member of carvones and a bridged compound.
名称と識別子
- 優先名称
- Pinocarvone
- IUPAC
- 6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
- 英語名
- (±)-2(10)-pinen-3-one
- 分子式
- C10H14O
- 分子量
- 150.22
名称と別名
Pinocarvone30460-92-52(10)-Pinen-3-one6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-oneBicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-(1)-2(10)-Pinen-3-oneCHEBI:28996DTXSID90865544Bicyclo(3.1.1)heptan-3-one, 6,6-dimethyl-2-methylene-6,6-dimethyl-2-methylidenebicyclo(3.1.1)heptan-3-oneRefChem:174342DTXCID10813941
名称をさらに表示
pinocarvon(±)-2(10)-pinen-3-one(1R,5R)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
3-Nopinenone6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-onealpha-Pinocarvone16812-40-1(+/-)-2(10)-Pinen-3-one6,6-dimethyl-2-methylidene-norpinan-3-oneMFCD02184568(+/-)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-one
データベース識別子
- CAS
19890-00-7、30460-92-5- PubChem CID
- 121719
- DTXSID
DTXSID90865544- ChEBI
CHEBI:28996- EC Number
- 250-211-9
- Nikkaji
- J265.105J
物性
構造計算による物性補完中
- XLogP
- 2.2
- 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
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 237
実験および物理化学的性質
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Boiling Point217.00 to 218.00 °C. @ 760.00 mm Hg
Melting Point-1.8 °C
Physical DescriptionLiquid
物理化学的性質
- 融点
- 222 · 222-223 °C
- 沸点
- 96 · 96-98 °C(Press: 19 Torr)
- 比重(密度)
- 0.9881 g/cm3 · 0.9881 g/cm3
- 臭い (Odor)
- 100 · 100.00?%で。ミント系
- LogP
- 0.964 · 0.964 (est)
- EPAの化学物質情報
- 3.1 · Bicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene- (30460-92-5)
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
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 12 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: 2(10)-Pinen-3-one, (.+-.)-
Pinocarvone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
General Manufacturing InformationBicyclo[3.1.1]heptan-3-one, 6,6-dimethyl-2-methylene-: INACTIVE
補足説明
定義ChEBI: A bridged compound resulting from rearrangement of carvone.
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