chempirical

Gamma-Phenyl-gamma-butyrolactone

C10H10O2CAS 1008-76-0162.19 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Density
1.5411 g/mL (at 23 °C)
Melting point
37–38 °C
Boiling point
175–176 °C (at 11 Torr)
logP
2.06Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1008-76-0
SMILES
O=C1CCC(c2ccccc2)O1
InChIKey
AEUULUMEYIPECD-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

19 names · show all
  • γ-Phenyl-γ-butyrolactone
  • 2(3H)-Furanone, dihydro-5-phenyl-
  • Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone
  • Dihydro-5-phenyl-2(3H)-furanone
  • 2,3-Dihydro-5-phenyl-2-furanone
  • Dihydro-5-phenyl-2(3H)furanone
  • 4-Phenylbutanolide
  • 4-Phenyl-4-hydroxybutanoic acid lactone
  • γ-Phenylbutyrolactone
  • 4-Phenyl-4-butanolide
  • 4-Phenyl-γ-butyrolactone
  • Dihydro-5-phenyl-2-furanone
  • γ-Phenyl-γ-butanolide
  • (±)-γ-Phenyl-γ-butyrolactone
  • 5-Phenyltetrahydrofuran-2-one
  • 5-Phenyldihydrofuran-2(3H)-one
  • (RS)-γ-Phenyl-γ-butyrolactone
  • NSC 24259
  • NSC 48048

Work with Gamma-Phenyl-gamma-butyrolactone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

γ-(4-Fluorophenyl)-γ-butyrolactone51787-96-367 % similar (5S,6R)-5,6-Diphenyl-2-morpholinone144538-22-747 % similar (5R,6S)-5,6-Diphenyl-2-morpholinone282735-66-447 % similar 1-Phenylethyl propionate120-45-645 % similar 4-Phenylcyclohexanone4894-75-144 % similar Phenylsuccinic anhydride1131-15-343 % similar Diphenyl succinate621-14-742 % similar (+)-Styrene oxide20780-53-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-7 6-Methoxy-1-indanone13623-25-1 3-Methylcinnamic acid14473-89-3

Elsewhere

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