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Basic information
- CAS
20628-36-8- Standard SMILES
CC1CC(=O)OC(C)(C)C1- InChIKey
LEEUQHSCWHVZQP-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- tetrahydro-4,6,6-trimethyl-2H-pyran-2-one
- IUPAC
- 4,6,6-trimethyloxan-2-one
- English name
- tetrahydro-4,6,6-trimethyl-2H-pyran-2-one
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
20628-36-8Tetrahydro-4,6,6-trimethyl-2H-pyran-2-oneEINECS 243-927-82H-Pyran-2-one, tetrahydro-4,6,6-trimethyl-NSC 134776RefChem:188624243-927-84,6,6-trimethyloxan-2-oneNSC134776SCHEMBL10431444DTXSID5012728272H-Pyran-2-one,6,6-trimethyl-
Show more names
NSC-134776NS000514504,6,6-Trimethyltetrahydro-2H-pyran-2-one #
Database identifiers
- CAS
20628-36-8- PubChem CID
- 30207
- DTXSID
DTXSID501272827- EC Number
- 243-927-8
- Nikkaji
- J110.620A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- 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
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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