Cas no 104932-23-2 (cetyl triacontanoate)
cetyl triacontanoate structure
Product Name:cetyl triacontanoate
CAS No:104932-23-2
MF:C46H92O2
MW:677.221495628357
CID:2044945
PubChem ID:53659540
Update Time:2025-04-21
cetyl triacontanoate Chemical and Physical Properties
Names and Identifiers
-
- cetyl triacontanoate
- hexadecyl triacontanoate
- ASGMAKUOAVSWRI-UHFFFAOYSA-N
- Triacontanoic acid cetyl ester
- DTXSID90146840
- DTXCID0069331
- SCHEMBL20483739
- UNII-W4NNE7I13H
- Q27292294
- 104932-23-2
- W4NNE7I13H
- Triacontanoic acid, hexadecyl ester
-
- Inchi： 1S/C46H92O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46(47)48-45-43-41-39-37-35-33-18-16-14-12-10-8-6-4-2/h3-45H2,1-2H3
- InChI Key： ASGMAKUOAVSWRI-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 676.70973217Da
- Monoisotopic Mass: 676.70973217Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 48
- Rotatable Bond Count: 44
- Complexity: 572
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 22.8
- Topological Polar Surface Area: 26.3?2
cetyl triacontanoate Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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