Cas no 68834-06-0 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester)
![1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester structure](https://ossimg.kuujia.com/scimg/69000/68834-06-0x500.png)
68834-06-0 structure
Product Name:1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester
CAS No:68834-06-0
MF:C27H50O9
MW:518.680510044098
CID:524230
PubChem ID:111375
Update Time:2025-04-19
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester
- 2-Hydroxy-1,2,3-propanetricarboxylic acid dihydrogen 1-[2-hydroxy-3-(octadecyloxy)propyl] ester
- 8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene
- 2-Hydroxy-2-{2-[2-hydroxy-3-(octadecyloxy)propoxy]-2-oxoethyl}succinic acid
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-(2-hydroxy-3-(octadecyloxy)propyl) ester
- 68834-06-0
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester
- DTXSID80887513
-
- Inchi： 1S/C27H50O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35-21-23(28)22-36-25(31)20-27(34,26(32)33)19-24(29)30/h23,28,34H,2-22H2,1H3,(H,29,30)(H,32,33)
- InChI Key： FMHPYOCVIKZCEV-UHFFFAOYSA-N
- SMILES： O(CC(COC(CC(C(=O)O)(CC(=O)O)O)=O)O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 518.3456
- Monoisotopic Mass: 518.345483
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 36
- Rotatable Bond Count: 27
- Complexity: 582
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 151
- XLogP3: 6.4
Experimental Properties
- Density: 1.106
- Boiling Point: 693.1°Cat760mmHg
- Flash Point: 217.9°C
- Refractive Index: 1.495
- PSA: 150.59
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
68834-06-0 (1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1-[2-hydroxy-3-(octadecyloxy)propyl] ester) Related Products
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