Cas no 18206-97-8 (1-Octacosanol,1-acetate)
1-Octacosanol,1-acetate structure
Product Name:1-Octacosanol,1-acetate
CAS No:18206-97-8
MF:C30H60O2
MW:452.796210289001
CID:228132
PubChem ID:176972
Update Time:2025-04-19
1-Octacosanol,1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Octacosanol,1-acetate
- octacosyl acetate
- 1-Octacosanol acetate
- n-Octacosyl acetate
- octacosanyl acetate
- 1-Octacosanol, 1-acetate
- SCHEMBL12818093
- 18206-97-8
- HNZKNOLXYOCLIC-UHFFFAOYSA-N
- DTXSID20939520
-
- Inchi： 1S/C30H60O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-32-30(2)31/h3-29H2,1-2H3
- InChI Key： HNZKNOLXYOCLIC-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 452.4596
- Monoisotopic Mass: 452.459
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 28
- Complexity: 353
- 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: 14.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.858
- Boiling Point: 424.2°C at 760 mmHg
- Flash Point: 187.6°C
- Refractive Index: 1.454
- PSA: 26.3
1-Octacosanol,1-acetate Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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
18206-97-8 (1-Octacosanol,1-acetate) Related Products
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- 112-06-1(Heptyl acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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