Hexanoic acid , Analysis standard , 142-62-1
Synonym(s):
Acid C6;Caproic acid;Hexanoic acid
CAS NO.：142-62-1
Empirical Formula: C6H12O2
Molecular Weight: 116.16
MDL number: MFCD00004421
EINECS: 205-550-7
PRODUCT Properties
| Melting point: | -4 °C (lit.) |
| Boiling point: | 202-203 °C (lit.) |
| Density | 0.927 g/mL at 25 °C (lit.) |
| vapor density | 4 (vs air) |
| vapor pressure | 0.18 mm Hg ( 20 °C) |
| refractive index | n |
| FEMA | 2559 | HEXANOIC ACID |
| Flash point: | 220 °F |
| storage temp. | Store below +30°C. |
| solubility | water: slightly soluble1.082g/100g(lit.) |
| form | Liquid |
| pka | 4.85(at 25℃) |
| Specific Gravity | 0.929 (20/4℃) |
| color | Clear colorless to light yellow |
| PH | 3.95(1 mM solution);3.43(10 mM solution);2.93(100 mM solution); |
| Odor | at 10.00 % in propylene glycol. sour fatty sweat cheese |
| Odor Type | fatty |
| Odor Threshold | 0.0006ppm |
| Water Solubility | 1.1 g/100 mL (20 ºC) |
| JECFA Number | 93 |
| Merck | 14,1759 |
| BRN | 773837 |
| Dielectric constant | 2.6（71℃） |
| Stability: | Stable. Incompatible with bases, reducing agents and oxidizing agents. Flammable. |
| InChIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
| LogP | 1.92 at 25℃ |
Description and Uses
Hexanoic acid (also known as Caproci acid), is the carboxylic acid derived from hexane with the general formula C5H11COOH. It is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that give the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. The primary use of hexanoic acid is in the manufacture of its esters for artificial flavors, and in the manufacture of hexyl derivatives, such as hexylphenols. Hexanoic acid belongs to medium chain triglycerides (MCT) that are widely used as a nutrition supplement that added to foods, drugs and cosmetics.
Hexanoic acid is used to prepare esters by reacting with alcohols, which finds application in artificial flavors. It is also involved in the production of hexylphenols, hexanoates and caproates. Further, it is used as non-viral gene carrier as well as to protect tomato plants from Botrytis cinerea.
Safety
| Symbol(GHS) |   GHS05,GHS06 |
| Signal word | Danger |
| Hazard statements | H302-H311-H314 |
| Precautionary statements | P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338 |
| Hazard Codes | C,Xi |
| Risk Statements | 34-21-20/21/22 |
| Safety Statements | 26-36/37/39-45-25 |
| RIDADR | UN 2829 8/PG 3 |
| WGK Germany | 1 |
| RTECS | MO5250000 |
| F | 13 |
| Autoignition Temperature | 380 °C |
| Hazard Note | Irritant |
| TSCA | Yes |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29159000 |
| Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
