Cas no 93820-97-4 (Stearic acid, cetyl/stearyl ester)
93820-97-4 structure
Product Name:Stearic acid, cetyl/stearyl ester
CAS No:93820-97-4
MF:C70H140O4
MW:1045.8582239151
CID:810031
PubChem ID:71486851
Update Time:2024-10-25
Stearic acid, cetyl/stearyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid,C16-18-alkyl esters
- cetearylstearate,cetostearylstearate
- Octadecanoic acid, C16-18-alkyl esters
- 9T97Q8P3CK
- Cetearyl stearate
- Stearic acid, cetyl/stearyl ester
- UNII-9T97Q8P3CK
- EINECS 298-680-9
- 93820-97-4
- hexadecyl octadecanoate;octadecyl octadecanoate
- BHXOBVQQGGHPJY-UHFFFAOYSA-N
-
- Inchi： 1S/C36H72O2.C34H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3;3-33H2,1-2H3
- InChI Key： BHXOBVQQGGHPJY-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCC.O(C(CCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 1045.07516294g/mol
- Monoisotopic Mass: 1045.07516294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 74
- Rotatable Bond Count: 66
- Complexity: 839
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
Stearic acid, cetyl/stearyl ester Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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