Cas no 28880-72-0 (5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate)
![5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate structure](https://ossimg.kuujia.com/scimg/29000/28880-72-0x500.png)
28880-72-0 structure
Product Name:5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate
CAS No:28880-72-0
MF:C22H39O7
MW:415.5408680439
CID:2839392
PubChem ID:71356124
Update Time:2025-04-21
5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate Chemical and Physical Properties
Names and Identifiers
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- 28880-72-0
- DTXSID20780276
- 5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate
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- Inchi： 1S/C22H40O7/c1-5-9-11-17(7-3)15-28-20(25)14-22(27,13-19(23)24)21(26)29-16-18(8-4)12-10-6-2/h17-18,27H,5-16H2,1-4H3,(H,23,24)/p-1
- InChI Key： MJXZQRUGYOVADI-UHFFFAOYSA-M
- SMILES： O(C(C(CC(=O)[O-])(CC(=O)OCC(CC)CCCC)O)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 415.26957858Da
- Monoisotopic Mass: 415.26957858Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 18
- Complexity: 486
- 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: 5.5
- Topological Polar Surface Area: 113?2
5-[(2-Ethylhexyl)oxy]-3-{[(2-ethylhexyl)oxy]carbonyl}-3-hydroxy-5-oxopentanoate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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