Cas no 61167-54-2 (Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester)
![Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester structure](https://ossimg.kuujia.com/scimg/61500/61167-54-2x500.png)
61167-54-2 structure
Product Name:Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester
CAS No:61167-54-2
MF:C27H54O4
MW:442.715269565582
CID:489954
PubChem ID:71398721
Update Time:2025-04-19
Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester
- [3-(2-hexyldecoxy)-2-hydroxypropyl] 2-ethylhexanoate
- DTXSID00820129
- 61167-54-2
- 3-[(2-HEXYLDECYL)OXY]-2-HYDROXYPROPYL 2-ETHYLHEXANOATE
-
- Inchi： 1S/C27H54O4/c1-5-9-12-14-15-17-19-24(18-16-13-10-6-2)21-30-22-26(28)23-31-27(29)25(8-4)20-11-7-3/h24-26,28H,5-23H2,1-4H3
- InChI Key： NJFLNXLHQKMNHW-UHFFFAOYSA-N
- SMILES： O(CC(COC(C(CC)CCCC)=O)O)CC(CCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 442.40242
- Monoisotopic Mass: 442.40221020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 24
- Complexity: 385
- 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: 9.7
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
Hexanoic acid, 2-ethyl-, 3-[(2-hexyldecyl)oxy]-2-hydroxypropyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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