Cas no 105959-31-7 (1-Hexadecanol, 2-octyl-)
1-Hexadecanol, 2-octyl- structure
Product Name:1-Hexadecanol, 2-octyl-
CAS No:105959-31-7
MF:C24H50O
MW:354.653208255768
CID:1167124
Update Time:2024-07-26
1-Hexadecanol, 2-octyl- Chemical and Physical Properties
Names and Identifiers
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- 1-Hexadecanol, 2-octyl-
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- Inchi： 1S/C24H50O/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24(23-25)21-19-17-10-8-6-4-2/h24-25H,3-23H2,1-2H3
- InChI Key： KMNZBGZLPZHWFU-UHFFFAOYSA-N
- SMILES： C(O)C(CCCCCCCC)CCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 354.3864
Experimental Properties
- Density: 0.839±0.06 g/cm3(Predicted)
- Boiling Point: 406.7±13.0 °C(Predicted)
- PSA: 20.23
- pka: 15.03±0.10(Predicted)
1-Hexadecanol, 2-octyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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