Basic information
- CAS
10603-06-2- Standard SMILES
CC1CC(C)(C)CC(=O)O1- InChIKey
ANAWSOIMWQHBPG-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-
- IUPAC
- 4,4,6-trimethyloxan-2-one
- English name
- Tetrahydro-4,4,6-trimethyl-2H-pyran-2-one
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
71566-51-32H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-4,6,6(4,4,6)-Trimethyltetrahydropyran-2-oneRefChem:4843864,4,6-trimethyloxan-2-one10603-06-2Tetrahydro-4,4,6-trimethyl-2H-pyran-2-oneNSC1347752H-Pyran-2-one, tetrahydro-4,4,6-trimethyl-SCHEMBL2755811DTXSID109921242H-Pyran-2-one,4,6-trimethyl-
Show more names
NSC-1347754,4,6-trimethyl-tetrahydropyran-2-oneDS-0041504,4,6-Trimethyltetrahydro-2H-pyran-2-one #2H-PYRAN-2-ONE,TETRAHYDRO-4,4,6-TRIMETHYL-
Database identifiers
- CAS
10603-06-2、71566-51-3- PubChem CID
- 172843
- DTXSID
DTXSID10992124- Nikkaji
- J110.619H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(Press: 18 Torr)
- Density
- 0.98039 g/cm3 · 0.98039 g/cm3(Temp: 17 °C)
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 Information
Chemical: 2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-
2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Pyran-2-one, tetrahydro-4,4,6(or 4,6,6)-trimethyl-: ACTIVE
Related reactions
1 records
Compound notes
Loading…