Basic information
- CAS
15358-88-0- Standard SMILES
CC1C(=O)CC2CC1C2(C)C- InChIKey
MQPHVIPKLRXGDJ-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
3-Pinanone is a monoterpenoid.
Names & identifiers
- Preferred name
- 3-Pinanone
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- English name
- (1alpha,2beta,5alpha)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
3-PinanoneBicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-Bicyclo(3.1.1)heptan-3-one, 2,6,6-trimethyl-RefChem:505007Bicyclo3.1.1heptan-3-one, 2,6,6-trimethyl-(E)-Pinocamphone15358-88-0(1alpha,2beta,5alpha)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-oneBicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)-1S,2R,5R-3-PinanoneD-Pinocamphone2,6,6-trimethylnorpinan-3-one
Show more names
(1α,2β,5α)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
pinan-3-onePinocamphone, transSCHEMBL7839978DTXSID60862166CHEBI:171963AAA47362NS00084069NS00084366
Database identifiers
- CAS
15358-88-0、18358-53-7- PubChem CID
- 11038
- DTXSID
DTXSID60862166- ChEBI
CHEBI:171963- EC Number
- 239-394-6
- Nikkaji
- J1.944.976I、J1.944.977G、J266.130F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Physicochemical properties
- Melting point
- 11 °C · 11 °C
- Boiling point
- 213 °C · 213 °C
- Density
- 0.9687 g/cm3 · 0.9687 g/cm3(Temp: 15 °C)
- LogP
- 2.343 · 2.343 (est)
- FDA UNII
- 366628 FXX · Q366628FXX
- EPA Substance Registry System
- 3.1 · Bicyclo[3.1.1]heptan-3-one, 2,6,6-trimethyl-, (1R,2R,5S)-rel- (15358-88-0)
- 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 InformationBicyclo3.1.1heptan-3-one, 2,6,6-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: 3-Pinanone is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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