3-Phenyloxolan-2-one

HCID 23269

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Basic information

CAS: 6836-98-2
Standard SMILES: O=C1OCCC1c1ccccc1
InChIKey: QGHNDAKWOGAJHS-UHFFFAOYSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol
Monoisotopic mass: 162.06807956

Overview

2-Phenylbutyrolactone is a gamma-lactone.

Names & identifiers

Preferred name: 3-Phenyloxolan-2-one
IUPAC: 3-phenyloxolan-2-one
English name: 2-FURANONE,4,5-DIHYDRO-3-PHENYL-
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

3-phenyloxolan-2-oneDTXSID00987908RefChem:504959DTXCID801415058848-101-66836-98-2alpha-Phenyl-gamma-butyrolactone3-PHENYL-DIHYDRO-FURAN-2-ONE2-phenylbutyrolactoneMFCD01725878CHEMBL13982-FURANONE,4,5-DIHYDRO-3-PHENYL-

Show more names

3-Phenyloxolane-2-one2(3H)-Furanone, dihydro-3-phenyl-3-Phenyl-4,5-dihydrofuran-2(3H)-one

3-Phenyldihydrofuran-2(3H)-oneBRN 01307074,5-Dihydro-3-phenyl-2(3H)-furanone3-phenyltetrahydrofuran-2-onePhenylbutyrolacton2(3H)-FURANONE, 4,5-DIHYDRO-3-PHENYL-2-phenylbutyro-lactone2-phenyl-gamma-butyrolactone

Database identifiers

CAS: 6836-98-2
PubChem CID: 23269
DTXSID: DTXSID00987908
ChEMBL: CHEMBL1398
ChEBI: CHEBI:189992
EC Number: 848-101-6
Nikkaji: J49.594H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Experimental & physicochemical properties

DrugsPharmaceuticals -> Metabolite of Primidone

Physicochemical properties

Boiling point: 203 · 203-205 °C(Press: 30 Torr)
Density: 1.1604 g/cm3 · 1.1604 g/cm3(Temp: 25 °C)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses3-Phenyloxolan-2-one is a useful research chemical used in the preparation of phenyl-substituted analogs of oxotremorine as muscarinic antagonists.