Docosanol

• CAS: 661-19-8
• Catalog Number: ACM661198
• Category: Fatty Alcohols
• Molecular Weight: 326.56
• Molecular Formula: C22H46O
• Description: Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; PelletsLargeCrystals, OtherSolid;Solid
• Synonyms: Behenyl alcohol
• IUPAC Name: docosan-1-ol
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCO
• InChI: InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
• InChI Key: NOPFSRXAKWQILS-UHFFFAOYSA-N
• Boiling Point: 180 °C 0.22 mmHg (lit.)
• Melting Point: 65-72 °C (lit.)
• Density: 0.8063 g/ml at 75 °C; 0.7986 g/ml at 85 °C; 0.7911 g/ml at 95 °C
• Solubility: Slightly soluble in ether; very soluble in ethanol, methanol, petroleum ether; soluble in chloroform;Insoluble in water;In water, 7.5X10-5 mg/L at 25 °C 9 (est);1.96e-05 g/L
• Appearance: Solid
• Storage: Room temperature
• Alcohol: Behenyl
• CNo.Chain: C22:0
• Color/Form: Colorless waxy solid
• Complexity: 190
• Covalently-Bonded Unit Count: 1
• EC Number: 211-546-6
• Exact Mass: 326.354866g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 23
• LogP: log Kow = 9.68 (est);9
• Monoisotopic Mass: 326.354866g/mol
• NSC Number: 759235;8407
• Other Experimental: A long-chain, saturated fatty alcohol;Henry's Law constant = 1.6X10-3 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.2X10-11 cu cm/molec-sec at 25 °C (est)
• Physical State: Solid
• Refractive Index: Index of refraction = 1.4360 at 75 °C/D
• Rotatable Bond Count: 20
• UNII: 9G1OE216XY
• Vapor Pressure: 6.1X10-8 mm Hg (est)
• XLogP3: 10.5