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HEXANOIC ACID

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


 

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