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Molecule
Γ-Phenyl-Γ-Butyrolactone
CAS: 1008-76-0 · C10H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1008-76-0
- Molecular Formula
- C10H10O2
- Molecular Mass
- 162.19 g/mol
Identifiers
CAS Registry Number
1008-76-0
SMILES
O=C1CCC(c2ccccc2)O1
InChI Key
AEUULUMEYIPECD-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
Names and Synonyms
- Γ-Phenyl-Γ-Butyrolactone Synonym
- 2(3H)-Furanone, dihydro-5-phenyl- Synonym
- Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone Synonym
- Dihydro-5-phenyl-2(3H)-furanone Synonym
- 2,3-Dihydro-5-phenyl-2-furanone Synonym
- Dihydro-5-phenyl-2(3H)furanone Synonym
- γ-Phenyl-γ-butyrolactone Synonym
- 4-Phenylbutanolide Synonym
- 4-Phenyl-4-hydroxybutanoic acid lactone Synonym
- γ-Phenylbutyrolactone Synonym
- 4-Phenyl-4-butanolide Synonym
- 4-Phenyl-γ-butyrolactone Synonym
- Dihydro-5-phenyl-2-furanone Synonym
- γ-Phenyl-γ-butanolide Synonym
- (±)-γ-Phenyl-γ-butyrolactone Synonym
- 5-Phenyltetrahydrofuran-2-one Synonym
- 5-Phenyldihydrofuran-2(3H)-one Synonym
- (RS)-γ-Phenyl-γ-butyrolactone Synonym
- NSC 24259 Synonym
- NSC 48048 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.5411 g/cm3 @ 23 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1OC(C=2C=CC=CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AEUULUMEYIPECD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 37-38 °C | CAS Common Chemistry |
| Name | γ-Phenyl-γ-butyrolactone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.0647 | RDKit |
| Molar Refractivity | 44.50900000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 162.06807956 g/mol | RDKit |
| Boiling Point | 175-176 °C @ 11 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 162.19 g/mol; density = 1.540 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O2.
