Gamma-valerolactone

C5H8O2CAS 108-29-2100.12 g/mol

Open in Covalent MOL file
OO
EsterLactone

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
Density
1.0547 g/mL (at 20 °C)
Melting point
−31 °C
Boiling point
85 °C (at 10 Torr)
Flash point
81.1 °C
Water solubility
≥ 100 g/L (22.2 °C)
logP
0.71Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 1,469 ECHA notifiers. Aggregated from 1,469 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
108-29-2
SMILES
CC1CCC(=O)O1
InChIKey
GAEKPEKOJKCEMS-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3

Weigh it out

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

Names and synonyms

28 names · show all
  • 2(3H)-Furanone, dihydro-5-methyl-
  • Valeric acid, 4-hydroxy-, γ-lactone
  • Valeric acid, γ-hydroxy-, lactone
  • Dihydro-5-methyl-2(3H)-furanone
  • 4-Hydroxypentanoic acid lactone
  • Pentanoic acid, 4-hydroxy-, γ-lactone
  • γ-Valerolactone
  • γ-Methyl-γ-butyrolactone
  • γ-Pentalactone
  • 4-Methyl-γ-butyrolactone
  • γ-Methylbutyrolactone
  • 4-Hydroxyvaleric acid lactone
  • 4-Pentanolide
  • 4-Methylbutyrolactone
  • Tetrahydro-5-methyl-2-furanone
  • Dihydro-5-methyl-2-furanone
  • 5-Methyltetrahydro-2-furanone
  • 4-Hydroxypentanoic acid γ-lactone
  • 5-Methyldihydro-2(3H)-furanone
  • (±)-γ-Valerolactone
  • (±)-4-Methylbutyrolactone
  • (RS)-γ-Pentalactone
  • (±)-γ-Pentalactone
  • (±)-γ-Methylbutyrolactone
  • NSC 33700
  • γ-VL
  • Pentano-4-lactone
  • Dihydro-5-methylfuranone

Work with Gamma-valerolactone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-Gamma-valerolactone58917-25-2Defined stereoisomer

Similar compounds

Delta-Hexalactone823-22-375 % similar Beta-BUTYROLACTONE3068-88-058 % similar Diisopropyl succinate924-88-952 % similar (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-650 % similar γ-Hexalactone695-06-750 % similar γ-Heptalactone105-21-548 % similar Diisopropyl adipate6938-94-948 % similar Diisopropyl sebacate7491-02-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4 2H-Pyran-3(4H)-one, dihydro-23462-75-1

Elsewhere

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