Basic information
- CAS
63678-00-2- Standard SMILES
CC1(C)OC(c2ccccc2)CC1=O- InChIKey
BPOHJJWGUCBNFI-UHFFFAOYSA-N- Molecular formula
- C12H14O2
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.09937969
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-phenyloxolan-3-one
- IUPAC
- 2,2-dimethyl-5-phenyloxolan-3-one
- English name
- CHEMBRDG-BB 5106458
- Molecular formula
- C12H14O2
- Molecular weight
- 190.24
Names & synonyms
63678-00-22,2-dimethyl-5-phenyloxolan-3-oneDTXSID80340971RefChem:81073DTXCID302920522,2-DIMETHYL-5-PHENYLDIHYDROFURAN-3(2H)-ONEDihydro-2,2-dimethyl-5-phenyl-3(2H)-furanoneMFCD004632292,2-Dimethyl-5-phenyldihydro-3(2H)-furanoneDihydro-22-dimethyl-5-phenyl-3(2H)-furanone2,2-Dimethyl-5-phenyl-dihydro-furan-3-oneSCHEMBL4883415
Show more names
3(2H)-Furanone, dihydro-2,2-dimethyl-5-phenyl-CHEMBRDG-BB 51064582,2-dimethyl-5-phenyldihydrofuran-3(2H)-one(SALTDATA: FREE)
BPOHJJWGUCBNFI-UHFFFAOYSA-NHMS1682G012,2-dimethyl-5-phenyl-oxolan-3-oneAKOS000591345AKOS022184422BS-35947ST50215788G83042
Database identifiers
- CAS
63678-00-2- PubChem CID
- 568892
- DTXSID
DTXSID80340971
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 35 · 35-36 °C
- Boiling point
- 120 · 120-121 °C(Press: 7 Torr)
- Density
- 1.06 g/cm3 · 1.060 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses2,2-Dimethyl-5-phenyldihydrofuran-3(2H)-one can be useful in integrated QSAR and adverse outcome pathway analysis of chemicals released on 3D printing using acrylonitrile butadiene styrene.
Suppliers2 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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