Basic information
- CAS
514-96-5- Standard SMILES
CC1=C(C)C(C)(C)CC=C1- InChIKey
RSTKTCUSOWRUNR-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Names & identifiers
- Preferred name
- beta-Pyronene
- IUPAC
- 1,2,6,6-tetramethylcyclohexa-1,3-diene
- English name
- beta-Pyronene
- Molecular formula
- C10H16
- Molecular weight
- 136.23
Names & synonyms
.beta.-Pyronenebeta-Pyronene514-96-5beta-Pironene87JOK1542I.BETA.-PIRONENEUNII-87JOK1542I1,3-Cyclohexadiene,1,2,6,6-tetramethyl-1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-DTXSID20281293RefChem:119495DTXCID20232447
Show more names
RSTKTCUSOWRUNR-UHFFFAOYSA-N1,2,6,6-tetramethylcyclohexa-1,3-diene1,2,6,6-Tetramethyl-1,3-cyclohexadieneSCHEMBL11298254SCHEMBL11298256AKOS0062754621,2,6,6-Tetramethyl-1,3-cyclohexadiene #
Database identifiers
- CAS
514-96-5- PubChem CID
- 228342
- DTXSID
DTXSID20281293- UNII
- 87JOK1542I
- Nikkaji
- J39.858F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 48 · 48-50 °C(Press: 8 Torr)
- Density
- 0.8401 g/cm3 · 0.8401 g/cm3(Temp: 25 °C)
- FDA UNII
- 87 JOK1542I · 87JOK1542I
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: 1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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