Cas no 32970-62-0 (Hexanoic acid, 2-butyl-2-ethyl-)
32970-62-0 structure
Product Name:Hexanoic acid, 2-butyl-2-ethyl-
CAS No:32970-62-0
MF:C12H24O2
MW:200.317764282227
CID:1454619
PubChem ID:21981369
Update Time:2025-04-20
Hexanoic acid, 2-butyl-2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-butyl-2-ethyl-
- 2-butyl-2-ethylhexanoic acid
- alpha-Butyl-alpha-ethylcaproic acid
- SCHEMBL120634
- AKOS012033173
- DS-017376
- 32970-62-0
- UDIMEPZRBOMNAG-UHFFFAOYSA-N
- DTXSID00621118
- a.-Butyl-.a.-ethyl caproic acid
-
- Inchi： 1S/C12H24O2/c1-4-7-9-12(6-3,11(13)14)10-8-5-2/h4-10H2,1-3H3,(H,13,14)
- InChI Key： UDIMEPZRBOMNAG-UHFFFAOYSA-N
- SMILES： OC(C(CC)(CCCC)CCCC)=O
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.905±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.12 g/l) (25 o C),
- PSA: 37.3
Hexanoic acid, 2-butyl-2-ethyl- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
32970-62-0 (Hexanoic acid, 2-butyl-2-ethyl-) Related Products
- 595-37-9(Dimebutic acid)
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 498-21-5(Methylsuccinic acid)
- 124-83-4((1R,3S)-Camphoric Acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 828-51-3(Adamantane-1-carboxylic acid)
- 99-66-1(Valproic acid)
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