Cas no 649-56-9 (Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester)
649-56-9 structure
Product Name:Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester
CAS No:649-56-9
MF:C7H11F3O3
MW:200.155653238297
CID:500719
PubChem ID:533787
Update Time:2025-04-19
Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester
- Ethyl 2-Methyl-3-hydroxy-4,4,4-trifluorobutyrate
- ETHYL 3-HYDROXY-3-METHYL-4,4,4-TRIFLUOROBUTYRATE
- ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate
- 3-Methoxy-3-trifluormethyl-buttersaeure-methylester
- ethyl 2-methyl-4,4,4-trifluoro-3-hydroxybutanoate
- ethyl-4,4,4-trifluor-3-hydroxy-2-methylbutanoat
- FT-0625965
- MFCD00190634
- AKOS006223453
- Butanoic acid,4,4,4-trifluoro-3-hydroxy-2-methyl-,ethyl ester
- SCHEMBL5704673
- ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutanoate
- CS-0361553
- Ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutanoate #
- 4,4,4-Trifluoro-3-hydroxy-2-methyl-butyric acid, ethyl ester
- ethyl 3-hydroxy-2-methyl-4,4,4-trifluorobutyrate
- 649-56-9
- Ethyl 4,4,4-trifluoro-3-hydroxy-2-methylbutyrate, 97%
- DTXSID00336437
- 91600-33-8
- ethyl 2-methyl-4,4,4-trifluoro-3-hydroxybutyrate
-
- Inchi： 1S/C7H11F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4-5,11H,3H2,1-2H3
- InChI Key： MFRIOKNLYRUYHP-UHFFFAOYSA-N
- SMILES： FC(C(C(C(=O)OCC)C)O)(F)F
Computed Properties
- Exact Mass: 200.06600
- Monoisotopic Mass: 200.06602869g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 178
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.239
- Boiling Point: 180-184°C
- Flash Point: 87.153°C
- Refractive Index: 1.389
- PSA: 46.53000
- LogP: 1.25290
Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester Security Information
- Hazard Category Code： 36/37/38
- Safety Instruction： S26; S36/37/39
- Risk Phrases：R36/37/38
Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
649-56-9 (Butanoic acid,4,4,4-trifluoro-3-methoxy-3-methyl-, methyl ester) Related Products
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