Cas no 109210-83-5 (Octadecanoic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester)
109210-83-5 structure
Product Name:Octadecanoic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester
CAS No:109210-83-5
MF:C37H74O4
MW:582.981072902679
CID:1187779
PubChem ID:13848034
Update Time:2025-04-20
Octadecanoic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester
- (3-hexadecoxy-2-hydroxypropyl) octadecanoate
- UNII-C9C9A079XT
- DTXSID20883190
- Octadecanoic acid, monoester with 3-(hexadecyloxy)-1,2-propanediol
- C9C9A079XT
- Octadecanoic acid, 3-hexadecyloxy-2-hydroxypropyl ester
- Stearic acid, chimyl ester
- Chimyl stearate
- Q27275354
- 109210-83-5
- Octadecanoic acid, chimyl ester
-
- Inchi： 1S/C37H74O4/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(39)41-35-36(38)34-40-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36,38H,3-35H2,1-2H3
- InChI Key： TURJEXLVQHKEBK-UHFFFAOYSA-N
- SMILES： O(CC(COC(CCCCCCCCCCCCCCCCC)=O)O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 582.55871084g/mol
- Monoisotopic Mass: 582.55871084g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 41
- Rotatable Bond Count: 36
- Complexity: 495
- 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
- XLogP3: 15.5
- Topological Polar Surface Area: 55.8?2
Octadecanoic acid, 3-(hexadecyloxy)-2-hydroxypropyl ester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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