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1-Docosanol

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Category Herpes simplex Virus (HSV)
CAS 661-19-8
Description Docosanol is a saturated fatty alcoholused traditionally as an emollient, emulsifier, and thickener in cosmetics, nutritional supplement.
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Product Information

Synonyms docosan-1-ol
IUPAC Name docosan-1-ol
Molecular Weight 326.60
Molecular Formula C22H46O
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
InChIKey NOPFSRXAKWQILS-UHFFFAOYSA-N
Boiling Point 180 °C / 0.22 mmHg (lit.)
Melting Point 65-72°C(lit.)
Flash Point 142.5±5.2 °C
Purity > 98 %
Density 0.8±0.1 g/cm3
Solubility In Vitro:
Ethanol: 50 mg/mL(153.09 mM;Need ultrasonic)
DMSO: < 1 mg/mL(insoluble or slightly soluble)
H2O: < 0.1 mg/mL(insoluble)
In Vivo:
1.Add each solvent one by one:10% EtOH >> 90% corn oil
Solubility: ≥ 2.5 mg/mL (7.65 mM); Clear solution
Appearance White powder
Storage 2-8°C
Complexity 190
Exact Mass 326.354866087
Index Of Refraction 1.455
PSA 20.23000
Target HSV
Vapor Pressure 0.0±1.9 mmHg at 25°C
XLogP3-AA 10.5

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