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Product Name: |
Hexanoic acid |
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CAS: |
142-62-1 |
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MF: |
C6H12O2 |
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MW: |
116.16 |
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EINECS: |
205-550-7 |
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Mol File: |
142-62-1.mol |
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Melting point |
−4 °C(lit.) |
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Boiling point |
202-203 °C(lit.) |
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density |
0.927 g/mL at 25 °C(lit.) |
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vapor density |
4 (vs air) |
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vapor pressure |
0.18 mm Hg ( 20 °C) |
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FEMA |
2559 | HEXANOIC ACID |
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refractive index |
n20/D 1.4161(lit.) |
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Fp |
220 °F |
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storage temp. |
Store below +30°C. |
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solubility |
water: slightly soluble1.082g/100g(lit.) |
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form |
Liquid |
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pka |
4.85(at 25℃) |
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Specific Gravity |
0.929 (20/4℃) |
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color |
Clear colorless to light yellow |
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PH |
4 (1g/l, H2O, 20℃) |
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Odor Threshold |
0.0006ppm |
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Water Solubility |
1.1 g/100 mL (20 ºC) |
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JECFA Number |
93 |
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Merck |
14,1759 |
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BRN |
773837 |
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Stability: |
Stable. Incompatible with bases, reducing agents and oxidizing agents. Flammable. |
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InChIKey |
FUZZWVXGSFPDMH-UHFFFAOYSA-N |
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CAS DataBase Reference |
142-62-1(CAS DataBase Reference) |
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NIST Chemistry Reference |
Hexanoic acid(142-62-1) |
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EPA Substance Registry System |
Hexanoic acid (142-62-1) |
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Hazard Codes |
C,Xi |
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Risk Statements |
34-21-20/21/22 |
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Safety Statements |
26-36/37/39-45-25 |
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RIDADR |
UN 2829 8/PG 3 |
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WGK Germany |
1 |
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RTECS |
MO5250000 |
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F |
13 |
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Autoignition Temperature |
380 °C |
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Hazard Note |
Irritant |
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TSCA |
Yes |
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HazardClass |
8 |
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PackingGroup |
III |
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HS Code |
29159000 |
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Hazardous Substances Data |
142-62-1(Hazardous Substances Data) |
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Toxicity |
LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
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Description |
Hexanoic acid (also known as Caproci acid, general formula: C5H11COOH) belongs to a kind of saturated medium-chain fatty acid derived from hexane with an unpleasant odor. It is a colorless oily liquid naturally existing in various plant and animal fats and oils. One of its major applications is for the manufacturing of its esters for being artificial flavors. It is also important for the manufacturing 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. |
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Chemical Properties |
Hexanoic acid has an unpleasant odor reminiscent of copra oil and it exhibits an acrid taste. Hexanoic acid may be prepared by fractionation of the volatile fatty acids of coconut oil. |
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Chemical Properties |
Hexanoic acid has a sickening, sweaty, rancid, sour, sharp, pungent, cheesy, fatty, unpleasant odor reminiscent of copra oil. It exhibits an acrid taste |
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Chemical Properties |
colourless liquid |
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Uses |
Intermediates of Liquid Crystals |
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Uses |
manufacture of esters for artificial flavors, and of hexyl derivatives, especially hexylphenols, hexylresorcinol, etc. |
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Definition |
ChEBI: A C6, straight-chain saturated fatty acid. |
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Preparation |
By fractionation of the volatile fatty acids of coconut oil |
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Definition |
An oily carboxylic acid found (as glycerides) in cow’s milk and some vegetable oils. |
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Aroma threshold values |
Detection: 93 ppb to 10 ppm |
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General Description |
A white crystalline solid or colorless to light yellow solution with an unpleasant odor. Insoluble to slightly soluble in water and less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make perfumes. |
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Air & Water Reactions |
Slightly water soluble. |
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Hazard |
Strong irritant to tissue. |
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Health Hazard |
Harmful if swallowed, inhaled, or absorbed through skin. Material is extremely destructive to tissue of mucous membranes and upper respiratory tract, eyes and skin. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchia, chemical pneumonitis and pulmonary edema. Symptoms of exposure may include burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea and vomiting. |
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Fire Hazard |
Special Hazards of Combustion Products: Irritating vapor may be generated. |
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Purification Methods |
Dry the acid with MgSO4 and fractionally distil it from CaSO4. [Beilstein 2 IV 917.] |
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Raw materials |
Nitric acid-->Calcium chloride-->Lauric acid-->Coconut oil-->Hexyl alcohol-->Caproaldehyde-->DL-2-Octanol-->HEXANENITRILE |
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Preparation Products |
2-Pentanone-->Hexyl alcohol-->Caproaldehyde-->Hexanoyl chloride-->1,2-Phenylenediacetic acid-->Allyl hexanoate-->Ethyl caproate-->Ethyl heptanoate-->4-Hexyl-1,3-benzenediol-->Bupivacaine-->Methyl hexanoate-->Amylamine-->PENTYL HEXANOATE-->Butyl hexanoate-->HEXANOIC ANHYDRIDE-->Cyclohexanehexanoic acid, 2-propenyl ester-->Isobutyl hexanoate-->FEMA 3403-->Ethyl1-butyl-2-piperidinecarbxylate-->Caproic acid propyl ester-->Isopentyl hexanoate-->HEXANAMIDE-->DL-2-Bromohexanoic acid |
