2-Acetylbutyrolactone

C6H8O3CAS 517-23-7128.13 g/mol

Open in Covalent MOL file
OOO
EsterKetoneLactone

Properties

Molecular formula
C6H8O3
Molar mass
128.13 g/mol
Exact mass
128.0473 Da
Density
1.1846 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
142 °C
logP
0.14Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 202 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
517-23-7
SMILES
CC(=O)C1CCOC1=O
InChIKey
OMQHDIHZSDEIFH-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all
  • 2(3H)-Furanone, 3-acetyldihydro-
  • Acetoacetic acid, 2-(2-hydroxyethyl)-, γ-lactone
  • 3-Acetyldihydro-2(3H)-furanone
  • α-Acetobutyrolactone
  • α-Acetylbutyrolactone
  • 3-Acetyl-4,5-dihydro-2(3H)-furanone
  • α-Acetyl-γ-hydroxybutyric acid γ-lactone
  • α-(2-Hydroxyethyl)acetoacetic acid γ-lactone
  • 3-Acetyltetrahydro-2-furanone
  • α-Acetyl-γ-butyrolactone
  • 2-Oxo-3-acetyltetrahydrofuran
  • 2-Acetyl-γ-butyrolactone
  • 2-Acetylbutanolide
  • Dihydro-3-acetyl-2(3H)-furanone
  • NSC 2019
  • 3-Acetyldihydrofuran-2-one
  • 3-Acetyl-4,5-dihydrofuran-2-one
  • 3-Acetyl-4,5-dihydro-3H-2-furanone
  • 3-Acetyloxolan-2-one

Work with 2-Acetylbutyrolactone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetylhexanoic acid ethyl ester1540-29-056 % similar Diethyl α-acetylglutarate1501-06-054 % similar Ethyl 2-ethylacetoacetate607-97-653 % similar Ethyl 2-acetyloctanoate29214-60-653 % similar Diethyl 2-acetylsuccinate1115-30-649 % similar Isoamyl isobutyrate2050-01-348 % similar Methyl 2-hexylacetoacetate70203-04-246 % similar Diethyl acetylmalonate570-08-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Glycidyl acrylate106-90-1 Ketopantolactone13031-04-4 2,2-Dimethylsuccinic anhydride17347-61-4 2,5-Bis(hydroxymethyl)furan1883-75-6 Adipic anhydride2035-75-8 Sotolon28664-35-9 Ethyl (2E)-4-oxo-2-butenoate2960-66-9 Furaneol3658-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia