Dihydro-3,3-diphenyl-2(3H)-furanone
Basic information
- CAS
956-89-8- Standard SMILES
O=C1OCCC1(c1ccccc1)c1ccccc1- InChIKey
IRQJWIUKHLVISG-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- Dihydro-3,3-diphenyl-2(3H)-furanone
- IUPAC
- 3,3-diphenyloxolan-2-one
- English name
- alpha,alpha-Diphenyl-gamma-butyrolactone
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
3,3-Diphenyldihydrofuran-2(3H)-one956-89-8DIHYDRO-3,3-DIPHENYL-2(3H)-FURANONEDTXSID0024189578A3PV5G74RefChem:1083586DTXCID30164386213-480-3alpha,alpha-Diphenyl-gamma-butyrolactone3,3-diphenyloxolan-2-oneMFCD00005393EINECS 213-480-3
Show more names
2(3H)-Furanoneà,à-diphenyl-LABOTEST-BB LT00159618Loperamide Impurity 11,-Diphenyl-butyrolactone2,2-Diphenylbutyrolactoneα,α-diphenyl-γ-butylesterα,α-Diphenyl-γ-butyrolactone2,2-Diphenyl-r-butyrolactone3,3-Diphenyl-dihydro-furan-2-one
1,1-Diphenyl-3-butyrolactoneMLS001359823AKOS016009712NCGC00247300-01SMR0012243882(3H)-Furanone, dihydro-3,3-diphenyl-3,3-diphenyl-3,4,5-trihydrofuran-2-one|A,|A-Diphenyl-|A-butyrolactone
Database identifiers
- CAS
956-89-8- PubChem CID
- 70393
- DTXSID
DTXSID00241895- ChEMBL
CHEMBL1892419- UNII
- 78A3PV5G74
- EC Number
- 213-480-3
- Nikkaji
- J298.564K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 77 · 77-79 °C(lit.)
- Boiling point
- 411.2 · 411.2±45.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- BRN
- 197879 · 197879
- Dielectric constant
- 2.5 · 2.5(23℃)
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C16H14O2/c17-15-16(11-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
- InChIKey
- IRQJWIUKHLVISG-UHFFFAOYSA-N
- SMILES
- O=C1OCCC1(c2ccccc2)c3ccccc3
- CAS DataBase Reference
- 956 · 956-89-8(CAS DataBase Reference)
- FDA UNII
- 666 POB3G4 · F666POB3G4
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
- wgk
- 3
- hs_code
- 29322985
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesThese Reference Materials are suitable for use in several analytical applications including, but not limited to, method development for qualitative and quantitative analyses, daily calibration, and routine quality control testing.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
10 records
Compound notes
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