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

Application

Behenic Acid, Technical, presented as white to cream crystals or powder, serves multiple purposes across various industries. As a long-chain saturated fatty acid, it is utilized in the production of waxes, textiles, pharmaceuticals, emulsifiers, and personal care products. Additionally, behenic acid is employed in the formulation of lubricants, esters, and is important in chemical synthesis and specialty applications. Its role as a plant metabolite further highlights its versatility and significance in different sectors.

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

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