Cas no 37172-54-6 (Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester)
37172-54-6 structure
Product Name:Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester
CAS No:37172-54-6
MF:C14H24O3
MW:240.338564872742
CID:313658
PubChem ID:169863
Update Time:2025-04-19
Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester
- ethyl 2-hexyl-3-oxocyclopentanecarboxylate
- 2-Hexyl-3-oxo-1-cyclopentanecarboxylic acid, ethyl ester
- DTXSID30885665
- ethyl 2-n-hexyl-3-oxo-cyclopentanecarboxylate
- EINECS 253-380-7
- SCHEMBL15552072
- 37172-54-6
- NS00057368
- INTQBOZOCPYNQM-UHFFFAOYSA-N
- Ethyl 2-hexyl-3-oxocyclopentanecarboxylate
- Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
-
- Inchi： 1S/C14H24O3/c1-3-5-6-7-8-11-12(9-10-13(11)15)14(16)17-4-2/h11-12H,3-10H2,1-2H3
- InChI Key： INTQBOZOCPYNQM-UHFFFAOYSA-N
- SMILES： O=C1CCC(C(=O)OCC)C1CCCCCC
Computed Properties
- Exact Mass: 240.17262
- Monoisotopic Mass: 240.172545
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 260
- 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: 43.4
- XLogP3: 3.4
Experimental Properties
- Density: 0.989
- Boiling Point: 324.9°Cat760mmHg
- Flash Point: 138.6°C
- Refractive Index: 1.46
- PSA: 43.37
Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
37172-54-6 (Cyclopentanecarboxylicacid, 2-hexyl-3-oxo-, ethyl ester) Related Products
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 24851-98-7(Methyl dihydrojasmonate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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