Cas no 17810-56-9 (Hexadecanoic acid,3-(hexadecyloxy)-2-hydroxypropyl ester)
17810-56-9 structure
Product Name:Hexadecanoic acid,3-(hexadecyloxy)-2-hydroxypropyl ester
CAS No:17810-56-9
MF:C35H70O4
MW:554.92791223526
CID:159333
PubChem ID:152233
Update Time:2025-04-19
Hexadecanoic acid,3-(hexadecyloxy)-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,3-(hexadecyloxy)-2-hydroxypropyl ester
- 1-O-hexadecyl-3-O-hexadecanoylglycerol
- 1-16C-3-16COOH-Glycerol
- 3-(hexadecyloxy)-2-hydroxypropyl hexadecanoate
- Stearic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester
- 1-hexadecyl-3-hexadecanoyl-rac-glycerol
- 17810-56-9
- (3-hexadecoxy-2-hydroxypropyl) hexadecanoate
- DTXSID70939035
-
- Inchi： 1S/C35H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38-32-34(36)33-39-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34,36H,3-33H2,1-2H3
- InChI Key： NINHZDDYUBJLFZ-UHFFFAOYSA-N
- SMILES： O(CC(COC(CCCCCCCCCCCCCCC)=O)O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 554.5277
- Monoisotopic Mass: 554.527411
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 39
- Rotatable Bond Count: 34
- Complexity: 468
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8
- XLogP3: 14.4
Experimental Properties
- Density: 0.903
- Boiling Point: 622.5°Cat760mmHg
- Flash Point: 175.6°C
- Refractive Index: 1.463
- PSA: 55.76
Hexadecanoic acid,3-(hexadecyloxy)-2-hydroxypropyl ester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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