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

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Heat & Pressure Sensitive Dyes

Behenic Acid

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Catalog Number

ACM112856-2

Product Name

Behenic Acid

Structure

CAS

112-85-6

Category

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

Storage

Sealed in dry, room temperature

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