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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
Names and Synonyms:
Γ-Phenyl-Γ-Butyrolactone
2(3H)-Furanone, dihydro-5-phenyl-
Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone
Dihydro-5-phenyl-2(3H)-furanone
2,3-Dihydro-5-phenyl-2-furanone
Dihydro-5-phenyl-2(3H)furanone
γ-Phenyl-γ-butyrolactone
4-Phenylbutanolide
4-Phenyl-4-hydroxybutanoic acid lactone
γ-Phenylbutyrolactone
4-Phenyl-4-butanolide
4-Phenyl-γ-butyrolactone
Dihydro-5-phenyl-2-furanone
γ-Phenyl-γ-butanolide
(±)-γ-Phenyl-γ-butyrolactone
5-Phenyltetrahydrofuran-2-one
5-Phenyldihydrofuran-2(3H)-one
(RS)-γ-Phenyl-γ-butyrolactone
NSC 24259
NSC 48048
Identifiers:
SMILES:
O=C1CCC(c2ccccc2)O1
InChI:
InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
Key Properties
Boiling Point
175-176 °C @ Press: 11 Torr
CAS Common Chemistry
Melting Point
37-38 °C
CAS Common Chemistry
Density
1.54 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 | 162.19 g/mol | CAS Common Chemistry |
| 162.188 g/mol | RDKit | |
| 162.06807956 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.5411 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Boiling Point | 175-176 °C @ Press: 11 Torr | 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 | RDKit |
