CAS 112-85-6 Behenic Acid, Technical - Materials / Alfa Chemistry

NAVIGATION

Behenic Acid, Technical

PRICE INQUIRY

Catalog Number

ACM112856-1

CAS Number

112-85-6

Product Name

Behenic Acid, Technical

Structure

Category

Pressure & Heat Sensitive Recording Materials

Description

OtherSolid, Liquid; PelletsLargeCrystals;Solid

IUPAC Name

docosanoic acid

Molecular Weight

340.6g/mol

Molecular Formula

C22H44O2

Canonical SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

InChI Key

UKMSUNONTOPOIO-UHFFFAOYSA-N

Boiling Point

306 °C at 60 mm Hg

Melting Point

81.0 °C;79.95 °C;81°C

Density

0.8221 at 100 °C/4 °C

Solubility

4.70e-08 M;0.102 g are sol in 100 g of 90% ethanol at 17 °C;0.218 g are sol in 100 ml of 91.5% ethanol at 25 °C; 0.116 g are sol in 100 ml of 86.2% ethanol at 25 °C; 0.011 g are sol in 100 ml of 63.07% ethanol at 25 °C; 0.1922 g are sol in 100 g of ether at 16 °C;Slightly soluble in water, ethanol, ethyl ether;In water, 160 mg/L, temp not specified;1.6e-05 mg/mL

Color/Form

Waxy solid;Needles

Complexity

250

Covalently-Bonded Unit Count

EC Number

204-010-8

Exact Mass

340.334131g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 9.91 (est)

MeSH Entry Terms

behenic acid;behenic acid, aluminum salt;behenic acid, barium salt;behenic acid, cadmium salt;behenic acid, ferrium (+3) salt;behenic acid, lithium salt;behenic acid, potassium salt;behenic acid, silver (+1) salt;behenic acid, sodium salt;behenic acid, zinc salt;docosanoic acid

Monoisotopic Mass

340.334131g/mol

NSC Number

32364

Other Experimental

Neutralization value: 164.73;mp 54 °C /Methyl ester/;mp 50 °C; bp 185 °C at 0.2 mm Hg /Ethyl ester/;mp 111-112 °C /Amide/;Henry's Law constant = 1.58X10-4 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 2.81X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.4270 at 100 °C/D

Rotatable Bond Count

UNII

H390488X0A

Vapor Pressure

7.15X10-8 mm Hg at 25 °C (est)

XLogP3

9.6

MSDS

Download MSDS

COA