Cas no 85392-06-9 (1-butyl-5-carboxypentyl 6-decenoate)
85392-06-9 structure
Product Name:1-butyl-5-carboxypentyl 6-decenoate
CAS No:85392-06-9
MF:C20H36O4
MW:340.497447013855
CID:990368
PubChem ID:174454
Update Time:2025-04-20
1-butyl-5-carboxypentyl 6-decenoate Chemical and Physical Properties
Names and Identifiers
-
- 1-butyl-5-carboxypentyl 6-decenoate
- 6-dec-6-enoyloxydecanoic acid
- NS00064081
- 6-Decenoic acid, 1-butyl-5-carboxypentyl ester
- DTXSID80888666
- 85392-06-9
- BAGORNXZZUTBGV-UHFFFAOYSA-N
-
- Inchi： 1S/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h7-8,18H,3-6,9-17H2,1-2H3,(H,21,22)
- InChI Key： BAGORNXZZUTBGV-UHFFFAOYSA-N
- SMILES： O(C(CCCCC=CCCC)=O)C(CCCC)CCCCC(=O)O
Computed Properties
- Exact Mass: 340.26136
- Monoisotopic Mass: 340.26136
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.7
- Topological Polar Surface Area: 63.6
Experimental Properties
- Density: 0.97
- Boiling Point: 461.8°C at 760 mmHg
- Flash Point: 150.1°C
- Refractive Index: 1.471
1-butyl-5-carboxypentyl 6-decenoate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
85392-06-9 (1-butyl-5-carboxypentyl 6-decenoate) Related Products
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- 142-77-8(Butyl Oleate)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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