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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 Mass:
86.09 g/mol
Names and Synonyms:
Gamma-Butyrolactone
2(3H)-Furanone, dihydro-
Dihydro-2(3H)-furanone
NIH 10540
γ-BL
Butyrolactone
1,4-Butanolide
γ-Butyrolactone
4-Hydroxybutanoic acid lactone
γ-Hydroxybutyric acid lactone
Butanoic acid, 4-hydroxy-, γ-lactone
Butyric acid lactone
4-Hydroxybutyric acid lactone
Tetrahydro-2-furanone
4-Butanolide
4-Deoxytetronic acid
1-Oxacyclopentan-2-one
2-Oxotetrahydrofuran
γ-Butyryllactone
4,5-Dihydro-2(3H)-furanone
γ-Butalactone
2-Oxolanone
2,3,4,5-Tetrahydro-2-furanone
Paint Clean G
NSC 4592
GBL
LBG 11785
B 0767
Identifiers:
SMILES:
O=C1CCCO1
InChI:
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Key Properties
Boiling Point
204 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-43.53 °C
CAS Common Chemistry
Density
1.13 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.09 g/mol | CAS Common Chemistry |
| 86.036779432 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1284 g/cm3 @ Temp: 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gamma-Butyrolactone | CAS Common Chemistry |
| Boiling Point | 204 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YEJRWHAVMIAJKC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -43.53 °C | CAS Common Chemistry |
| Name | γ-Butyrolactone | CAS Common Chemistry |
| gamma-Butyrolactone | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 0.3234 | RDKit |
| Molar Refractivity | 20.192999999999994 | RDKit |
