Cas no 85211-26-3 (Cyclohexanepropanoicacid, a-butyl-)
85211-26-3 structure
Product Name:Cyclohexanepropanoicacid, a-butyl-
CAS No:85211-26-3
MF:C13H24O2
MW:212.328464508057
CID:731876
PubChem ID:292834
Update Time:2025-04-19
Cyclohexanepropanoicacid, a-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoicacid, a-butyl-
- 2-(cyclohexylmethyl)hexanoic acid
- 2-cyclohexylmethyl-hexanoic acid
- 2-Cyclohexylmethyl-hexansaeure
- Butyl-hexahydrobenzyl-essigsaeure
- Cyclohexanepropanoicacid,a-butyl
-
- Inchi： 1S/C13H24O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h11-12H,2-10H2,1H3,(H,14,15)
- InChI Key： HREYHQRIGKRHKZ-UHFFFAOYSA-N
- SMILES： OC(C(CCCC)CC1CCCCC1)=O
Computed Properties
- Exact Mass: 212.17800
- Monoisotopic Mass: 212.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 183
- 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: 4.8
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.958
- Boiling Point: 328.9°Cat760mmHg
- Flash Point: 156.4°C
- Refractive Index: 1.468
- PSA: 37.30000
- LogP: 3.84780
Cyclohexanepropanoicacid, a-butyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
85211-26-3 (Cyclohexanepropanoicacid, a-butyl-) Related Products
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 874-61-3(4-oxocyclohexane-1-carboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 88-09-5(2-Ethylbutyric acid)
- 498-21-5(Methylsuccinic 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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