Cas no 85554-72-9 (Octanoic acid,2-hexenyl ester, (E)- (9CI))
85554-72-9 structure
Product Name:Octanoic acid,2-hexenyl ester, (E)- (9CI)
CAS No:85554-72-9
MF:C14H26O2
MW:226.355044841766
CID:725903
Update Time:2024-03-01
Octanoic acid,2-hexenyl ester, (E)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Octanoic acid,2-hexenyl ester, (E)- (9CI)
- (E)-2-Hexenyl octanoate
- 2-HEXENYLOCTANOATE
- TRANS-2-HEXENYL OCTANOATE
- Octanoic acid (E)-2-hexenyl ester
- Einecs 287-605-5
- Octanoic acid, 2-hexenyl ester, (E)-
- (E)-2-hexen-1-yl octanoate
- [(E)-hex-2-enyl] octanoate
-
- Inchi： 1S/C14H26O2/c1-3-5-7-9-10-12-14(15)16-13-11-8-6-4-2/h8,11H,3-7,9-10,12-13H2,1-2H3/b11-8+
- InChI Key： IRUGSDVUJNNIMW-DHZHZOJOSA-N
- SMILES： C(OC/C=C/CCC)(=O)CCCCCCC
Computed Properties
- Exact Mass: 226.19328
- Monoisotopic Mass: 226.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 11
- Complexity: 185
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.881
- Boiling Point: 292.3°C at 760 mmHg
- Flash Point: 91.3°C
- Refractive Index: 1.448
- PSA: 26.30000
- LogP: 4.24640
- FEMA: 4135 | 2-HEXENYL OCTANOATE
Octanoic acid,2-hexenyl ester, (E)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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