GAMMA-PHENYL-GAMMA-BUTYROLACTONE
- Iupac Name：5-phenyloxolan-2-one
- CAS No.: 1008-76-0
- Molecular Weight：162.1852
- Modify Date.: 2022-11-09 06:42
- Introduction: clear colorless to yellow liquid after melting
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1. Names and Identifiers
- 1.1 Name
- GAMMA-PHENYL-GAMMA-BUTYROLACTONE
- 1.2 Synonyms
(±)-γ-Phenyl-γ-butyrolactone (RS)-γ-Phenyl-γ-butyrolactone 2(3H)-Furanone, dihydro-5-phenyl- 2,3-Dihydro-5-phenyl-2-furanone 4,5-Dihydro-5-phenyl-2(3H)-furanone 4-Phenyl-4-butanolide 4-Phenyl-4-hydroxybutanoic acid lactone 4-Phenylbutanolide 4-Phenyl-γ-butyrolactone 5-Phenyldihydrofuran-2(3H)-one 5-Phenyltetrahydrofuran-2-one Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone Dihydro-5-phenyl-2(3H)furanone Dihydro-5-phenyl-2(3H)-furanone Dihydro-5-phenyl-2-furanone NSC 24259 NSC 48048 γ-Phenylbutyrolactone γ-Phenyl-γ-butanolide γ-Phenyl-γ-butyrolactone
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- 1.3 CAS No.
- 1008-76-0
- 1.4 CID
- 13884
- 1.5 EINECS(EC#)
- 213-761-0
- 1.6 Molecular Formula
- C10H10O2 (isomer)
- 1.7 Inchi
- InChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
- 1.8 InChIkey
- AEUULUMEYIPECD-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1CC(=O)OC1C2=CC=CC=C2
- 1.10 Isomers Smiles
- C1CC(=O)OC1C2=CC=CC=C2
2. Properties
- 2.1 Density
- 1.15
- 2.1 Melting point
- 36-37℃
- 2.1 Boiling point
- 306℃
- 2.1 Refractive index
- 1.5415-1.5435
- 2.1 Flash Point
- 135.5°C
- 2.1 Precise Quality
- 162.06800
- 2.1 PSA
- 26.30000
- 2.1 logP
- 2.06470
- 2.1 Appearance
- White to Almost white powder to crystal
- 2.2 Storage
- Ambient temperatures.
- 2.3 Chemical Properties
- clear colorless to yellow liquid after melting
- 2.4 Color/Form
- Clear colorless to yellow
- 2.5 Water Solubility
- Insoluble in water.
3. Safety and Handling
- 3.1 Safety Statements
- S24/25
- 3.1 WGK Germany
- 3
- 3.1 RTECS
- LU3690000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
6. Computational chemical data
- Molecular Weight: 162.1852g/mol
- Molecular Formula: C10H10O2
- Compound Is Canonicalized: True
- XLogP3-AA: 1.7
- Exact Mass: 162.068079557
- Monoisotopic Mass: 162.068079557
- Complexity: 171
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Topological Polar Surface Area: 26.3
- Heavy Atom Count: 12
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGgAAAAAADBSgmAIwCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjKAMRiCMAAkwAEIqAeKyLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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