Basic information
- CAS
24903-95-5- Standard SMILES
CC1(C)C2CCC(=O)C1C2- InChIKey
XZFDKWMYCUEKSS-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Overview
6,6-Dimethylbicyclo[3.1.1]heptan-2-one is a monoterpenoid.
Names & identifiers
- Preferred name
- Nopinone
- IUPAC
- 6,6-dimethylbicyclo[3.1.1]heptan-2-one
- English name
- 6,6-dimethylbicyclo[3.1.1]heptan-2-one
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
24903-95-5NopinoneBicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-Bicyclo(3.1.1)heptan-2-one, 6,6-dimethyl-DTXSID20865173NSC-250997RefChem:568203DTXCID80813610246-520-3G7O7RX0V016,6-Dimethylbicyclo[3.1.1]heptan-2-oneNopinon
Show more names
RMA-273β-Pinone6,6-dimethylbicyclo[3.1.1]heptan-4-one
beta-Pinone.beta.-Pinone6,6-dimethylnorpinan-2-one2-Norpinanone, 6,6-dimethyl-6,6-Dimethylbicyclo(3.1.1)heptan-2-oneMFCD08447116EINECS 246-520-36,6-dimethyl-bicyclo[3.1.1]heptan-2-one
Database identifiers
- CAS
24903-95-5、38651-65-9- PubChem CID
- 32735
- DTXSID
DTXSID20865173- ChEBI
CHEBI:181453- EC Number
- 246-520-3
- Nikkaji
- J286.419C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 95 °C · 95 °C
- Density
- 0.9816 g/cm3 · 0.9816 g/cm3(Temp: 15 °C)
- storage temp.
- Store at Room Tem.
- LogP
- 1.808 · 1.808 (est)
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl- (24903-95-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Bicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[3.1.1]heptan-2-one, 6,6-dimethyl-: INACTIVE
Applications
Usesβ-Pinone is an intermediate in the synthesis of trans-2-Pinanol (P458623) which is an essential oil component found in a variety of plants.
Upstream & downstream products
Upstream raw materials
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖南华义智德医药科技有限公司17752881701 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
7 records
Compound notes
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