Cas no 146356-76-5 (Pentanoic acid,2-propyl-, 1,2,3-propanetriyl ester (9CI))
146356-76-5 structure
Product Name:Pentanoic acid,2-propyl-, 1,2,3-propanetriyl ester (9CI)
CAS No:146356-76-5
MF:C27H50O6
MW:470.682309627533
CID:147694
PubChem ID:192355
Update Time:2025-04-19
Pentanoic acid,2-propyl-, 1,2,3-propanetriyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2-propyl-, 1,2,3-propanetriyl ester (9CI)
- 2,3-bis(2-propylpentanoyloxy)propyl 2-propylpentanoate
- Glyceryl trivalproate
- propane-1,2,3-triyl tris(2-propylpentanoate)
- SCHEMBL679687
- 146356-76-5
- DTXSID30163359
-
- Inchi： 1S/C27H50O6/c1-7-13-21(14-8-2)25(28)31-19-24(33-27(30)23(17-11-5)18-12-6)20-32-26(29)22(15-9-3)16-10-4/h21-24H,7-20H2,1-6H3
- InChI Key： GNEIIXKXKQGWGU-UHFFFAOYSA-N
- SMILES： O(C(C(CCC)CCC)=O)C(COC(C(CCC)CCC)=O)COC(C(CCC)CCC)=O
Computed Properties
- Exact Mass: 504.36636
- Monoisotopic Mass: 470.36073931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 33
- Rotatable Bond Count: 23
- Complexity: 483
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.5
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 147.02
Pentanoic acid,2-propyl-, 1,2,3-propanetriyl ester (9CI) Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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