Basic information
- CAS
6970-56-5- Standard SMILES
CC1=CC(=O)OC(C)(C)C1- InChIKey
ZSQHRLJAKWRVJQ-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Overview
See also: 5,6-Dihydro-4,6,6-trimethyl-alpha-pyrone (annotation moved to).
Names & identifiers
- Preferred name
- 4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
- IUPAC
- 2,2,4-trimethyl-3H-pyran-6-one
- English name
- 4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one6970-56-52H-Pyran-2-one, 5,6-dihydro-4,6,6-trimethyl-NSC62023SCHEMBL13647772DTXSID80289578ZSQHRLJAKWRVJQ-UHFFFAOYSA-NNSC-62023AKOS0063462862H-Pyran-2-one,6-dihydro-4,6,6-trimethyl-4,6,6-Trimethyl-5,6-dihydro-2H-pyran-2-one #InChI=1/C8H12O2/c1-6-4-7(9)10-8(2,3)5-6/h4H,5H2,1-3H
Show more names
2,2,4-trimethyl-3H-pyran-6-one5,6-DIHYDRO-4,6,6-TRIMETHYL-ALPHA-PYRONE5,6-Dihydro-4,6,6-trimethyl-2H-pyran-2-one
Database identifiers
- CAS
6970-56-5- PubChem CID
- 247461
- DTXSID
DTXSID80289578- Nikkaji
- J110.539F
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 189
Physicochemical properties
- Melting point
- 30 °C · 30 °C
- Boiling point
- 104 °C · 104 °C(Press: 4 Torr)
- Density
- 0.996 g/cm3 · 0.996 g/cm3(Temp: 25 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…