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Gamma-Phenil-gamma-butirolactona
1. Nombres y Identificadores
- 1.1 Nombre del producto
- Gamma-Phenil-gamma-butirolactona
- 1.2 Sinónimos
- (±)-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;
- 1.3 CAS No.
- 1008-76-0
- 1.4 CID
- 13884
- 1.5 Número EINECS
- 213-761-0
- 1.6 Fórmula molecular
- C10H10O2
- 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 Canónico SMILES
- C1CC(=O)OC1C2=CC=CC=C2
- 1.10 Isómero SMILES
- C1CC(=O)OC1C2=CC=CC=C2
2. 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
3. NMR El espectro.
Mass spectrum (electron ionization)
4. Datos químicos computacionales
- Molecular Weight：162.1852g/mol
- Molecular Formula：C10H10O2
- Compound Is Canonicalized：True
- Exact Mass：1.7
- XLogP3-AA：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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Update Time:2023/06/28
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Update Time:2024/06/17
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Update Time:2017/12/14
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Update Time:2019/11/25
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Update Time:2019/11/25
6. información real del producto
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