Cas no 36781-83-6 (Docosanoic acid,12-hydroxyoctadecyl ester)
36781-83-6 structure
Product Name:Docosanoic acid,12-hydroxyoctadecyl ester
CAS No:36781-83-6
MF:C40H80O3
MW:609.061413764954
CID:316308
PubChem ID:169813
Update Time:2025-04-19
Docosanoic acid,12-hydroxyoctadecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Docosanoic acid,12-hydroxyoctadecyl ester
- 12-hydroxyoctadecyl docosanoate
- SCHEMBL3487747
- DTXSID70884677
- Docosanoic acid, 12-hydroxyoctadecyl ester
- W-110883
- NS00059048
- EINECS 253-209-6
- 36781-83-6
-
- Inchi： 1S/C40H80O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-33-37-40(42)43-38-34-30-27-24-21-22-25-28-32-36-39(41)35-31-8-6-4-2/h39,41H,3-38H2,1-2H3
- InChI Key： BPIZTXQQUVZKFT-UHFFFAOYSA-N
- SMILES： OC(CCCCCC)CCCCCCCCCCCOC(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 608.6111
- Monoisotopic Mass: 608.61074641g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 43
- Rotatable Bond Count: 38
- Complexity: 520
- 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: 17.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Docosanoic acid,12-hydroxyoctadecyl ester Related Literature
-
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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
36781-83-6 (Docosanoic acid,12-hydroxyoctadecyl ester) Related Products
- 108-29-2(gamma-Valerolactone)
- 110-38-3(Ethyl decanoate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 104-61-0(rac-γ-Nonanolactone)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 123-29-5(Ethyl nonanoate)
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