Basic information
- CAS
5286-38-4- Standard SMILES
CC(C)C1CCC2(C)OC2C1=O- InChIKey
IAFONZHDZMCORS-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Overview
Piperitone oxide has been reported in Isodon rugosus, Clinopodium carolinianum, and other organisms with data available.
Names & identifiers
- Preferred name
- Piperitone oxide
- IUPAC
- 6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
- English name
- 6-methyl-3-(1-methylethyl)-7-oxabicyclo[4.1.0]heptan-2-one
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23284
Names & synonyms
Piperitone oxide1,2-Epoxy-p-menthane-3-onePipertone, oxide5286-38-4Piperitone 1-oxidePiperitoneoxide7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)-p-Menthan-3-one, 1,2-epoxy-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one6-methyl-3-(1-methylethyl)-7-oxabicyclo[4.1.0]heptan-2-one6-Methyl-3-(propan-2-yl)-7-oxabicyclo[4.1.0]heptan-2-one7-Oxabicyclo(4.1.0)heptan-2-one, 6-methyl-3-(1-methylethyl)-
Show more names
7-Oxabicyclo[4.1.0]heptan-2-one,6-methyl-3-(1-methylethyl)-
UNII-88UA85L5VIPiperitonoxid6-Methyl-3-(1-methylethyl)-7-oxabicyclo(4.1.0)heptan-2-onePiperiton epoxidEINECS 226-125-2NSC 316068p-Menthan-3-one,2-epoxy-SCHEMBL909590
Database identifiers
- CAS
5286-38-4- PubChem CID
- 92998
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 14 °C · 14 °C
- Boiling point
- 102 · 102-103 °C(Press: 10.5 Torr)
- Density
- 0.9944 g/cm3 · 0.9944 g/cm3
- LogP
- 1.272 · 1.272 (est)
- FDA UNII
- 88 UA85L5VI · 88UA85L5VI
- EPA Substance Registry System
- 7 · 7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)- (5286-38-4)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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