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

NAVIGATION

Behenic Acid

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Catalog Number

ACM112856-3

CAS Number

112-85-6

Product Name

Behenic Acid

Structure

Category

Pressure & Heat Sensitive Recording Materials; Solubility Enhancing Reagents; Heat & Pressure Sensitive Dyes

Synonyms

Behensαure

Description

OtherSolid, Liquid; PelletsLargeCrystals;Solid

IUPAC Name

Docosanoic acid

Molecular Weight

340.58

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

72-80 °C(lit.)

Flash Point

306 °C

Purity

98%+

Density

0.881 g/cm³

Solubility

Slightly soluble in water, ethanol, ethyl ether

Appearance

Crystalline powder

Application

Behenic Acid, also known as docosanoic acid, typically appears as white to cream crystals or powder and serves multiple purposes due to its structure as a long-chain, C22 saturated fatty acid. It is widely utilized in the production of waxes, textiles, pharmaceuticals, and personal care products as an emulsifier. Additionally, it finds applications in lubricants and serves as an important component in the creation of esters and other chemical syntheses, highlighting its versatility in both industrial and specialty applications.

Storage

Sealed in dry, room temperature

Assay

0.9999

Color/Form

Waxy solid;Needles

Complexity

250

Covalently-Bonded Unit Count

EC Number

204-010-8

Exact Mass

340.334130642

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

340.334130642

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)

Packaging

1 kg

Refractive Index

1.427 (20°C)

Rotatable Bond Count

Stability

Stable. Combustible. Incompatible with bases, oxidizing agents, reducing agents.

Storage Conditions

2-8°C

Topological Polar Surface Area

37.3 Å²

UNII