Cas no 71353-61-2 (1-Tritriacontanol)
1-Tritriacontanol structure
Product Name:1-Tritriacontanol
CAS No:71353-61-2
MF:C33H68O
MW:480.892431259155
CID:571662
PubChem ID:156150
Update Time:2025-04-19
1-Tritriacontanol Chemical and Physical Properties
Names and Identifiers
-
- 1-Tritriacontanol
- 71353-61-2
- tritriacontanol
- DTXSID00221556
- n-tritriacontanol
- SCHEMBL810872
- tritriacontan-1-ol
- LMFA05000604
-
- Inchi： 1S/C33H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34/h34H,2-33H2,1H3
- InChI Key： ZERSFCCIRKUIFX-UHFFFAOYSA-N
- SMILES： OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 480.52734
- Monoisotopic Mass: 480.527
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 34
- Rotatable Bond Count: 31
- Complexity: 327
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Density: 0.8646 (rough estimate)
- Boiling Point: 508.8°C (rough estimate)
- Flash Point: 120.1°C
- Refractive Index: 1.4594 (estimate)
- PSA: 20.23
1-Tritriacontanol Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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