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GAMMA,GAMMA-DIMETHYL-ALPHA-TRIFLUOROMETHYL-GAMMA-BUTYROLACTONE
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;
- 1.3 CAS No.
- 164929-15-1
- 1.4 CID
- 2734014
- 1.5 Molecular Formula
- C7H9F3O2
- 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 InChkey
- 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 Chemical Properties
- clear colorless liquid after melting GAMMA,GAMMA-DIMETHYL-ALPHA-TRIFLUOROMETHYL-GAMMA-BUTYROLACTONESupplier
3. 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
4. Computed Properties
- Molecular Weight：182.142g/mol
- Molecular Formula：C7H9F3O2
- Compound Is Canonicalized：True
- Exact Mass：1.9
- XLogP3-AA：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==
5.Other Information
- Chemical Properties
- clear colorless liquid after melting
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Update Time:2017/12/14
7. Realated Product Infomation
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