CAS 142-62-1 Hexanoic acid - Materials / Alfa Chemistry

NAVIGATION

Hexanoic acid

PRICE INQUIRY

Catalog Number

ACM142621

CAS Number

142-62-1

Product Name

Hexanoic acid

Structure

Category

Solubility Enhancing Reagents

Synonyms

Caproic acid

Description

Caproic acid is derived from the crude fermentation of butyric acid; or by fractional distillation of natural fatty acids. Used in various flavorings; manufacture of rubber chemicals; varnish dryers; resins; pharmaceuticals.

IUPAC Name

hexanoic acid

Molecular Weight

116.16g/mol

Molecular Formula

C6H12O2

Canonical SMILES

CCCCCC(=O)O

InChI

InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)

InChI Key

FUZZWVXGSFPDMH-UHFFFAOYSA-N

Boiling Point

396 to 397 °F at 760 mm Hg (NTP, 1992);205.2 °C;205.8 °C;205 °C

Melting Point

-3°C

Flash Point

104°C

Purity

99%+

Density

0.92

Solubility

5 to 10 mg/mL at 72° F (NTP, 1992);0.09 M;10.3 mg/mL at 25 °C;In water, 1.03X10+4 mg/L at 25 °C;Readily sol in ethanol, ether.;10.3 mg/mL;Solubility in water, g/100ml at 20 °C: 1.1;miscible with alcohol, most fixed oils, ether, 1 ml in 250 ml water

Appearance

Colorless liquid

Storage

Room temperature

Assay

0.99

Color/Form

Oily liquid

Complexity

68.9

Covalently-Bonded Unit Count

EC Number

205-550-7;274-509-3

Exact Mass

116.08373g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1167

Log P

1.92 (LogP);1.92;log Kow = 1.92;1.92;1.88

MeSH Entry Terms

Bi(OHex)3;bismuth(III)hexanoate;calcium hexanoate;calcium N-hexanoate;caproate;caproic acid;caproic acid sodium salt;capronic Acid;hexanoate;hexanoic acid;hexanoic acid, barium salt;hexanoic acid, calcium salt;hexanoic acid, copper (2+) salt;hexanoic acid, manganese (2+) salt;hexanoic acid, nickel (2+) salt;hexanoic acid, potassium salt;hexanoic acid, rhodium (2+) salt;hexanoic acid, sodium salt;hexanoic acid, sodium salt (1:1);hexanoic acid, sodium salt, 1-(11)C-labeled;n-caproic acid;sodium caproate;sodium capronate;sodium hexanoate

Monoisotopic Mass

116.08373g/mol

NSC Number

8266

Odor

Characteristic goat-like odor

Other Experimental

Heat of formation: -584.0 KJ/mol; Specific heat 2.33 J/g;Viscosity: 0.031 poise at 20 °C;Henry's Law constant = 7.58X10-7 atm cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 5.5X10-12 cu cm/molec-sec at 25 °C (est)

Packaging

25 kg/DRUMS

Refractive Index

1.415-1.418

Rotatable Bond Count

RTECS Number

MO5250000

Stability

Stable. Incompatible with bases, reducing agents and oxidizing agents. Flammable.

UNII

1F8SN134MX

UN Number