Cas no 59068-09-6 (Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester)
![Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester structure](https://ossimg.kuujia.com/scimg/59500/59068-09-6x500.png)
59068-09-6 structure
Product Name:Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester
CAS No:59068-09-6
MF:C19H38O4
MW:330.502626895905
CID:339972
PubChem ID:71443177
Update Time:2025-04-19
Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester
- [3-(2-ethylhexoxy)-2-hydroxypropyl] 2-ethylhexanoate
- 59068-09-6
- DTXSID10852012
- 3-[(2-ETHYLHEXYL)OXY]-2-HYDROXYPROPYL 2-ETHYLHEXANOATE
-
- Inchi： 1S/C19H38O4/c1-5-9-11-16(7-3)13-22-14-18(20)15-23-19(21)17(8-4)12-10-6-2/h16-18,20H,5-15H2,1-4H3
- InChI Key： POLJYMNBDMYBIF-UHFFFAOYSA-N
- SMILES： O(CC(COC(C(CC)CCCC)=O)O)CC(CC)CCCC
Computed Properties
- Exact Mass: 330.27714
- Monoisotopic Mass: 330.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 16
- Complexity: 281
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Hexanoic acid, 2-ethyl-, 3-[(2-ethylhexyl)oxy]-2-hydroxypropyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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