GAMMA,GAMMA-DIMETHYL-ALPHA-TRIFLUOROMETHYL-GAMMA-BUTYROLACTONE
- Iupac Name：5,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
- CAS No.: 164929-15-1
- Molecular Weight：182.142
- Modify Date.: 2023-03-06 11:38
1. Names and Identifiers
- 1.1 Name
- GAMMA,GAMMA-DIMETHYL-ALPHA-TRIFLUOROMETHYL-GAMMA-BUTYROLACTONE
- 1.2 Synonyms
(3R)-5,5-dimethyl-3-(trifluoromethyl)-2-oxolanone (3S)-5,5-Dimethyl-3-(trifluoromethyl)dihydro-2(3H)-furanone (3S)-5,5-DIMETHYL-3-(TRIFLUOROMETHYL)OXOLAN-2-ONE |A-Methyl-|A-(trifluoromethyl)-|A-valerolactone 2(3H)-Furanone, dihydro-5,5-dimethyl-3-(trifluoromethyl)-, (3S)- 5,5-Dimethyl-3-(trifluoromethyl)dihydrofuran-2(3H)-one 5,5-dimethyl-3-(trifluoromethyl)oxolan-2-one Dihydro-5,5-dimethyl-3-(trifluoromethyl)-2(3H)-furanone GAMMA-METHYL-ALPHA-(TRIFLUOROMETHYL)-GAM -METHYL-ALPHA-(TRIFLUOROMETHYL)--VALEROLACTONE MFCD00798457 γ,γ-DIMETHYL-α-TRIFLUOROMETHYL-γ-BUTYROLACTONE
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- 1.3 CAS No.
- 164929-15-1
- 1.4 CID
- 2734014
- 1.5 Molecular Formula
- C7H9F3O2 (isomer)
- 1.6 Inchi
- InChI=1S/C7H9F3O2/c1-6(2)3-4(5(11)12-6)7(8,9)10/h4H,3H2,1-2H3
- 1.7 InChIkey
- NSQKIHBAKTVICL-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1(CC(C(=O)O1)C(F)(F)F)C
- 1.9 Isomers Smiles
- CC1(CC(C(=O)O1)C(F)(F)F)C
2. Properties
- 2.1 Density
- 1.25 g/mL at 25 °C(lit.)
- 2.1 Boiling point
- 216 °C(lit.)
- 2.1 Refractive index
- n20/D 1.389(lit.)
- 2.1 Flash Point
- 226 °F
- 2.1 PSA
- 26.3
- 2.1 logP
- 1.11 (Predicted)
- 2.1 Chemical Properties
- clear colorless liquid after melting GAMMA,GAMMA-DIMETHYL-ALPHA-TRIFLUOROMETHYL-GAMMA-BUTYROLACTONESupplier
3. Safety and Handling
- 3.1 Hazard Codes
- Xi;
- 3.1 Risk Statements
- R36/37/38
- 3.1 Safety Statements
- S26;S37/39
- 3.1 WGK Germany
- 3
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
5. Other Information
- 5.0 Chemical Properties
- clear colorless liquid after melting
6. Computational chemical data
- Molecular Weight: 182.142g/mol
- Molecular Formula: C7H9F3O2
- Compound Is Canonicalized: True
- XLogP3-AA: 1.9
- Exact Mass: 182.05546401
- Monoisotopic Mass: 182.05546401
- Complexity: 207
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- 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: AAADccBgMYAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGwAAAAAADUSAgBACCAAABAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAACKAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
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- Tel:86-571-87396430
8. Realated Product Infomation
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