Cas no 761-34-2 (Acetic acid,2,2,2-trifluoro-, 1-ethylbutyl ester)
761-34-2 structure
Product Name:Acetic acid,2,2,2-trifluoro-, 1-ethylbutyl ester
CAS No:761-34-2
MF:C8H13F3O2
MW:198.182833433151
CID:575759
PubChem ID:136576
Update Time:2025-04-19
Acetic acid,2,2,2-trifluoro-, 1-ethylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2,2,2-trifluoro-, 1-ethylbutyl ester
- hexan-3-yl 2,2,2-trifluoroacetate
- TXLRKFWFZMQEOY-UHFFFAOYSA-N
- 3-hexyl trifluoroacetate
- 3-Hexyltrifluoroacetate
- 761-34-2
- Hexan-3-yl trifluoroacetate
- DTXSID80997464
-
- Inchi： 1S/C8H13F3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,3-5H2,1-2H3
- InChI Key： TXLRKFWFZMQEOY-UHFFFAOYSA-N
- SMILES： FC(C(=O)OC(CC)CCC)(F)F
Computed Properties
- Exact Mass: 198.08679
- Monoisotopic Mass: 198.087
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.095
- Boiling Point: 152.9°C at 760 mmHg
- Flash Point: 16.1°C
- Refractive Index: 1.374
- PSA: 26.3
Acetic acid,2,2,2-trifluoro-, 1-ethylbutyl ester Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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