Cas no 22485-54-7 (1-Hexadecanol, benzoate)
1-Hexadecanol, benzoate structure
Product Name:1-Hexadecanol, benzoate
CAS No:22485-54-7
MF:C23H38O2
MW:346.546627521515
CID:1413488
PubChem ID:11551966
Update Time:2025-04-20
1-Hexadecanol, benzoate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecanol, benzoate
- benzoic acid,hexadecan-1-ol
- Hexadecyl Benzoate
- Benzoic acid, hexadecyl ester
- NS00076548
- Benzoic acid hexadecyl ester
- SCHEMBL1119942
- Q27294900
- benzoic acid cetyl ester
- RAMRROOXFMYSNA-UHFFFAOYSA-N
- 22485-54-7
- Hexadecyl Benzoic acid
- CHEBI:145972
- DTXSID401021180
- hexadecane benzoate
- Cetyl benzoate
- UNII-Z27Z1043IX
- Z27Z1043IX
-
- Inchi： 1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)22-19-16-15-17-20-22/h15-17,19-20H,2-14,18,21H2,1H3
- InChI Key： RAMRROOXFMYSNA-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCCCCCCOC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 364.2979
- Monoisotopic Mass: 346.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 17
- Complexity: 295
- 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: 10
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 57.53
1-Hexadecanol, benzoate Related Literature
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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