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Gamma-Butyrolactone
CAS: 96-48-0 | C4H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-48-0
Molecular Formula:
C4H6O2
Molecular Weight:
86.09 g/mol
Names and Synonyms:
Gamma-Butyrolactone
Common Name
Paint Clean G
Synonym
2,3,4,5-Tetrahydro-2-furanone
Synonym
2-Oxolanone
Synonym
γ-Butalactone
Synonym
4,5-Dihydro-2(3H)-furanone
Synonym
γ-Butyryllactone
Synonym
2-Oxotetrahydrofuran
Synonym
1-Oxacyclopentan-2-one
Synonym
4-Deoxytetronic acid
Synonym
4-Butanolide
Synonym
Tetrahydro-2-furanone
Synonym
4-Hydroxybutyric acid lactone
Synonym
Butyric acid lactone
Synonym
Butanoic acid, 4-hydroxy-, γ-lactone
Synonym
γ-Hydroxybutyric acid lactone
Synonym
4-Hydroxybutanoic acid lactone
Synonym
γ-Butyrolactone
Synonym
1,4-Butanolide
Synonym
Butyrolactone
Synonym
γ-BL
Synonym
NIH 10540
Synonym
Dihydro-2(3H)-furanone
Synonym
2(3H)-Furanone, dihydro-
Synonym
B 0767
Synonym
LBG 11785
Synonym
GBL
Synonym
NSC 4592
Synonym
Identifiers:
SMILES:
O=C1CCCO1
InChI:
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.09 g/mol | Legacy Database |
| density | 1.13 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Gamma-Butyrolactone None | Legacy Database |
| cas-boiling-point | 204 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C1OCCC1 None | Legacy Database |
| cas-density | 1.1284 g/cm3 @ Temp: 16 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YEJRWHAVMIAJKC-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -43.53 °C None | Legacy Database |
| cas-name | γ-Butyrolactone None | Legacy Database |
| wikipedia-name | gamma-Butyrolactone None | Legacy Database |
| LogP | 0.3234 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.09 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.036779432 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 26.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 20.192999999999994 | RDKit |