Cas no 5458-66-2 (Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, butyl ester)
5458-66-2 structure
Product Name:Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, butyl ester
CAS No:5458-66-2
MF:C14H24O2
MW:224.339164733887
CID:377160
PubChem ID:229791
Update Time:2025-04-19
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- butyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
- Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, butyl ester
- AC1L5I37
- AC1Q66VI
- AR-1I1135
- butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
- CTK5A1813
- d,l-trans-Chrysanthemsaeure-butylester
- NSC23749
- SureCN809165
- 5458-66-2
- NSC-23749
- SCHEMBL809165
- DTXSID20281990
- Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
-
- Inchi： 1S/C14H24O2/c1-6-7-8-16-13(15)12-11(9-10(2)3)14(12,4)5/h9,11-12H,6-8H2,1-5H3
- InChI Key： ADZPEJQJURBWCD-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1C(/C=C(\C)/C)C1(C)C)=O
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 285
- 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
- Topological Polar Surface Area: 26.3?2
- XLogP3: 5
Experimental Properties
- Density: 0.971
- Boiling Point: 264.2°Cat760mmHg
- Flash Point: 105.4°C
- Refractive Index: 1.502
- PSA: 26.3
- LogP: 3.56810
Cyclopropanecarboxylicacid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, butyl ester Related Literature
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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