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Α-Hydroxy-Γ-Butyrolactone
CAS: 19444-84-9 | C4H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19444-84-9
Molecular Formula:
C4H6O3
Molecular Mass:
102.09 g/mol
Names and Synonyms:
Α-Hydroxy-Γ-Butyrolactone
2(3H)-Furanone, dihydro-3-hydroxy-
Butyric acid, 2,4-dihydroxy-, γ-lactone
Dihydro-3-hydroxy-2(3H)-furanone
α-Hydroxy-γ-butyrolactone
2,4-Dihydroxybutyric acid γ-lactone
2-Hydroxybutyrolactone
2,4-Dihydroxybutanoic acid γ-lactone
2-Hydroxy-4-butanolide
3-Hydroxydihydrofuran-2-one
3-Hydroxydihydrofuran-2(3H)-one
3-Hydroxyoxolan-2-one
2-Hydroxy-γ-butyrolactone
2-Oxotetrahydrofuran-3-ol
Identifiers:
SMILES:
O=C1OCCC1O
InChI:
InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
Key Properties
Boiling Point
107-111 °C @ Press: 6 Torr
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.08899999999998 g/mol | RDKit | |
| 102.031694052 g/mol | RDKit | |
| Boiling Point | 107-111 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C1OCCC1O | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FWIBCWKHNZBDLS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | α-Hydroxy-γ-butyrolactone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | -0.7058000000000002 | RDKit |
| Molar Refractivity | 21.582799999999995 | RDKit |
