CAS 661-19-8 Docosanol - Materials / Alfa Chemistry

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Docosanol

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Catalog Number

ACM661198

CAS Number

661-19-8

Product Name

Docosanol

Structure

Category

Solubility Enhancing Reagents

Synonyms

Behenyl alcohol

Description

Liquid; OtherSolid; OtherSolid, Liquid; PelletsLargeCrystals; PelletsLargeCrystals, OtherSolid;Solid

IUPAC Name

docosan-1-ol

Molecular Weight

326.56

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

InChI Key

NOPFSRXAKWQILS-UHFFFAOYSA-N

Boiling Point

180 °C 0.22 mmHg (lit.)

Melting Point

65-72 °C (lit.)

Purity

99%+

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

Color/Form

Colorless waxy solid

Complexity

190

Covalently-Bonded Unit Count

EC Number

211-546-6

Exact Mass

326.354866g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 9.68 (est);9

MeSH Entry Terms

Abreva;behenyl alcohol;docosanol;IK.2

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)

Refractive Index

Index of refraction = 1.4360 at 75 °C/D

Rotatable Bond Count

UNII

9G1OE216XY

Vapor Pressure

6.1X10-8 mm Hg (est)

XLogP3

10.5

MSDS

Download MSDS

COA