HEXANOIC ACID=CAPROIC ACID
CAS: 142-62-1
European Community (EC) Number: 205-550-7
Molecular Formula: C6H12O2
IUPAC Name: hexanoic acid
DESCRIPTION:
HEXANOIC ACID appears as a white crystalline solid or colorless to light yellow solution with an unpleasant odor.
HEXANOIC ACID is insoluble to slightly soluble in water and less dense than water.
HEXANOIC ACID contacts may severely irritate skin, eyes and mucous membranes.
HEXANOIC ACID may be toxic by ingestion, inhalation and skin absorption.
HEXANOIC ACID is used to make perfumes.
HEXANOIC ACID, also known as hexanoic acid, is the carboxylic acid derived from hexane with the chemical formula CH3(CH2)4COOH.
HEXANOIC ACID is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals.
HEXANOIC ACID is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that gives the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor.
HEXANOIC ACID is also one of the components of vanilla and cheese.
The primary use of HEXANOIC ACID is in the manufacture of its esters for use as artificial flavors, and in the manufacture of hexyl derivatives, such as hexylphenols.
Salts and esters of HEXANOIC ACID are known as caproates or hexanoates.
Several progestin medications are caproate esters, such as hydroxyprogesterone caproate and gestonorone caproate.
Two other acids are named after goats: caprylic acid (C8) and capric acid (C10).
Along with HEXANOIC ACID, they account for 15% of the fat in goat's milk.
Caproic, caprylic, and capric acids (capric is a crystal- or wax-like substance, whereas the other two are mobile liquids) are not only used for the formation of esters, but also commonly used "neat" in: butter, milk, cream, strawberry, bread, beer, nut, and other flavors.
Hexanoic acid is a resistance priming inducer that protects tomato plants from Botrytis cinerea
CAS: 142-62-1
European Community (EC) Number: 205-550-7
Molecular Formula: C6H12O2
IUPAC Name: hexanoic acid
Application of HEXANOIC ACID:
Hexanoic acid can be used:
To prepare polyethylene glycol derived nanomicelles as a non-viral gene carrier.
As a starting material to synthesize an amino acid L-norleucine.
As a reactant to prepare 4-methoxy phenyl hexyl ketone through Friedel−Crafts acylation of anisole using Hβ zeolite-based catalyst.
As a template in the preparation of highly conducting thin polypyrrole coated alumina composite particles.
HEXANOIC ACID is present in apple, wine grapes, butter, licorice and cheeses, e.g. blue cheeses, Cheddar cheese, Swiss cheese, feta cheese, gruyere de comte cheese, etcand is) also present in a few essential oils and fruital aromas.
HEXANOIC ACID is secondary product of butyric acid fermentation.
Flavouring ingredient Hexanoic acid (common name caproic acid), is the carboxylic acid derived from hexane with the general formula C5H11COOH.
HEXANOIC ACID is a colorless oily liquid with an odor reminiscent of goats or other barnyard animals.
HEXANOIC ACID is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that gives the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor.
Hexanoic acid is found in many foods, some of which are tapioca pearl, meat bouillon, pecan nut, and oval-leaf huckleberry.
Hexanoic acid is stored in a cool place.
Hexanoic acid is incompatible with bases, oxidizing agents, reducing agents and allyl alcohol.
Hexanoic acid is a fatty acid which is found naturally in many animal fats and oils.
The molecular or chemical formula of Hexanoic acid is C6H12O2.
In its solid form, Hexanoic acid is crystalline white in colour.
In its aqueous form, Hexanoic acid appears as a colourless – light yellow solution and has an unpleasant smell.
Hexanoic acid does not dissolve in water or slightly dissolves in water.
Hexanoic acid is less dense when compared to water.
Butylacetic acid is a saturated medium-chain fatty which has a 6-carbon backbone.
Hexanoic acid is a straight-chain fatty acid.
Hexanoic acid functions as a plant metabolite and human metabolite.
1-Hexanoic Acid, is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats.
Hexanoic acid’s esters can be used as artificial flavors.
Hexanoic acid is also one of the components of vanilla.
Hexanoic acid is not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
Caproic acid is a crucial ingredient in many different additives, chemicals and products due to its versatile nature.
Manufacturers of pharmaceutical products, resins and more can benefit from using caproic acid. Other caproic acid uses include:
- Chemical intermediates
- Lubricants
- Esters for artificial flavorings
- Rubber and plastic products
- Adhesives
Hexanoic acid can be used in labs and chemical manufacturing facilities to develop ingredients and additives for all types of industrial applications.
Hexanoic acid may act as a component in many greases, coatings and other similar products because of its oily consistency.
Storage of Hexanoic acid:
Store in polyethene lined containers.
Keep in tightly closed container in a cool and dry place, protected from light.
When stored for more than 24 months, quality should be checked before use.
CAS: 142-62-1
European Community (EC) Number: 205-550-7
Molecular Formula: C6H12O2
IUPAC Name: hexanoic acid
Chemical and Physical Properties of Hexanoic acid:
Molecular Weight 116.16 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 116.083729621 g/mol
Monoisotopic Mass 116.083729621 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 68.9
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
Color/Form: Oily liquid
Odor: Characteristic goat-like odor
Boiling Point: 396 to 397 °F at 760 mm Hg
Melting Point: -3 ℃
Flash Point: 102 °C
Solubility: 5 to 10 mg/mL at 72° F
Solubility in water, g/100ml at 20 °C: 1.1
Density : 0.927 g/cm^3
Vapor Density: 4.01
Vapor Pressure:
0.2 mm Hg at 68 °F ; 1 mm Hg at 158° F; 20 mm Hg at 233.2° F
Henry's Law constant = 7.58X10-7 atm cu m/mol at 25 °C
Autoignition Temperature: 716 °F
Decomposition:
When heated to decomposition it emits acrid smoke and fumes.
Viscosity: 3.23 mPa.s at 20 °C
Heat of Combustion: -3,492.4 KJ/mol (liquid)
Surface Tension: 23.4 mN/m at 70 °C
Dissociation Constants: pKa = 4.88
logP: 1.88
logP: 1.81
logS: -1.1
pKa (Strongest Acidic): 5.09
Physiological Charge: -1
Hydrogen Acceptor Count: 2
Hydrogen Donor Count:1
Polar Surface Area: 37.3 Ų
Rotatable Bond Count: 4
Refractivity: 31.07 m³•mol⁻¹
Polarizability: 13.27 ų
Number of Rings: 0
Bioavailability: Yes
Rule of Five: Yes
Ghose Filter: No
Veber's Rule: Yes
MDDR-like Rule: No
CAS: 142-62-1
European Community (EC) Number: 205-550-7
Molecular Formula: C6H12O2
IUPAC Name: hexanoic acid
SAFETY INFORMATION:
Fire Hazard:
Special Hazards of Combustion Products: Irritating vapor may be generated.
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.
Isolation and Evacuation:
IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.
SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.
FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
Firefighting:
SMALL FIRE: Dry chemical, CO2 or water spray.
LARGE FIRE: Dry chemical, CO2, alcohol-resistant foam or water spray.
If it can be done safely, move undamaged containers away from the area around the fire.
Dike runoff from fire control for later disposal.
FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles.
Do not get water inside containers.
Cool containers with flooding quantities of water until well after fire is out.
Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank.
ALWAYS stay away from tanks engulfed in fire.
Non-Fire Response:
ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk.
Prevent entry into waterways, sewers, basements or confined areas.
Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
Protective Clothing:
Respirator, chemical safety goggles, rubber boots and heavy rubber gloves.
No information available.
First Aid:
EYES: First check the victim for contact lenses and remove if present.
Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center.
Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician.
IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing.
Gently wash all affected skin areas thoroughly with soap and water.
IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop.
IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.
INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air.
If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital.
Provide proper respiratory protection to rescuers entering an unknown atmosphere.
Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.
INGESTION: DO NOT INDUCE VOMITING.
Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems.
If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center.
IMMEDIATELY transport the victim to a hospital.
If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body.
DO NOT INDUCE VOMITING.
Transport the victim IMMEDIATELY to a hospital.
CAS: 142-62-1
European Community (EC) Number: 205-550-7
Molecular Formula: C6H12O2
IUPAC Name: hexanoic acid
Synonyms:
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
Depositor-Supplied Synonyms:
HEXANOIC ACID
Caproic acid
142-62-1
n-Hexanoic acid
Capronic acid
n-Caproic acid
Butylacetic acid
Hexoic acid
Pentylformic acid
n-Hexylic acid
n-Hexoic acid
1-Hexanoic acid
Pentiformic acid
1-Pentanecarboxylic acid
Pentanecarboxylic acid
Hexacid 698
Hexylic acid
Kyselina kapronova
NSC 8266
UNII-1F8SN134MX
MFCD00004421
NCIOpen2_005355
hexanoic acid (caproic acid)
C6:0
CHEMBL14184
CH3-[CH2]4-COOH
1F8SN134MX
CHEBI:30776
NSC8266
butylacetate
capronate
hexylate
pentylformate
n-caproate
n-hexoate
n-hexylate
HEXANOIC ACID (CAPROIC ACID)
1-hexanoate
1-pentanecarboxylate
DSSTox_CID_1607
Hexanoic acid (natural)
DSSTox_RID_76233
DSSTox_GSID_21607
68603-84-9
Kyselina kapronova [Czech]
CAS-142-62-1
FEMA No. 2559
CCRIS 1347
HSDB 6813
EINECS 205-550-7
UN2829
BRN 0773837
AI3-07701
hexansäure
Nat.Hexanoic Acid
6NA
EINECS 274-509-3
Caproic Acid,(S)
Acid C6
58454-02-7
ethyl 4-butanoic acid
Fatty Acid 1210
Hexanoic acid, 99%
methyl 5-pentanoic acid
Carboxylic acids, C6-18 and C6-18-unsatd. mono- and C8-15-di-
Pentane-1-carboxylic acid
Hexanoic acid, >=99%
n-C5H11COOH
Hexanoic acid Caproic acid
bmse000351
EC 205-550-7
(C5-C9) Monobasic acids
SCHEMBL3867
WLN: QV5
CH3(CH2)4COOH
4-02-00-00917 (Beilstein Handbook Reference)
70248-25-8
(C6-C12)Alkylcarboxylic acid
DTXSID7021607
Hexanoic acid-1,2-[13C2]
(C6-C12) Alkylcarboxylic acid
BDBM16433
Hexanoic acid, analytical standard
NSC-8266
STR10048
ZINC1529230
EINECS 267-013-3
EINECS 271-676-4
Tox21_201517
Tox21_300406
LMFA01010006
Hexanoic acid, >=98%, FCC, FG
AKOS000119844
FA(6:0)
MCULE-1671810139
Caproic acid [UN2829] [Corrosive]
Hexanoic acid, natural, >=98%, FCC
NCGC00248020-01
NCGC00248020-02
NCGC00254504-01
NCGC00259067-01
Hexanoic acid, purum, >=98.0% (GC)
M557
Hexanoic acid 10 microg/mL in Acetonitrile
FT-0659402
FT-0777869
H0105
Hexanoic acid, natural, >=98%, FCC, FG
C01585
EC 271-676-4
Q422597
J-007673
25401AB4-1ECB-481F-AC91-EAAFC9329BDD
Z955123566
UNII-13FB83DEYU component FUZZWVXGSFPDMH-UHFFFAOYSA-N