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Molecule
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
Identifiers
CAS Registry Number
96-48-0
SMILES
O=C1CCCO1
InChI Key
YEJRWHAVMIAJKC-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
Names and Synonyms
- Gamma-Butyrolactone Common Name
- Butyrolactone Synonym
- 2(3H)-Furanone, dihydro- Synonym
- Dihydro-2(3H)-furanone Synonym
- NIH 10540 Synonym
- γ-BL Synonym
- 1,4-Butanolide Synonym
- γ-Butyrolactone Synonym
- 4-Hydroxybutanoic acid lactone Synonym
- γ-Hydroxybutyric acid lactone Synonym
- Butanoic acid, 4-hydroxy-, γ-lactone Synonym
- Butyric acid lactone Synonym
- 4-Hydroxybutyric acid lactone Synonym
- Tetrahydro-2-furanone Synonym
- 4-Butanolide Synonym
- 4-Deoxytetronic acid Synonym
- 1-Oxacyclopentan-2-one Synonym
- 2-Oxotetrahydrofuran Synonym
- γ-Butyryllactone Synonym
- 4,5-Dihydro-2(3H)-furanone Synonym
- γ-Butalactone Synonym
- 2-Oxolanone Synonym
- 2,3,4,5-Tetrahydro-2-furanone Synonym
- Paint Clean G Synonym
- NSC 4592 Synonym
- GBL Synonym
- LBG 11785 Synonym
- B 0767 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.09 g/mol | CAS Common Chemistry |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1284 g/cm3 @ 16 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Gamma-Butyrolactone | 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 86.036779432 g/mol | RDKit |
| Boiling Point | 204 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 86.09 g/mol; density = 1.130 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O2.
