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

Application

Hexanoic acid, a colorless, oily liquid with a distinctive fatty and cheesy odor, serves a variety of important roles in industrial and agricultural applications. Its primary purpose is in the production of esters used for artificial flavors, achieved by its reaction with alcohols. Beyond flavoring, hexanoic acid is instrumental in creating hexyl derivatives like hexylphenols, and hexanoates, which have diverse uses. Additionally, it is utilized as a non-viral gene carrier, offering potential benefits in scientific research and medicine. In agriculture, hexanoic acid helps protect tomato plants against the harmful effects of Botrytis cinerea, a common plant pathogen. As a medium-chain fatty acid, it is also incorporated into nutritional supplements, enhancing food, drug, and cosmetic formulations.

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