Isocaproic acid

  • Isohexoic acid
  • Isohexanoic acid
  • Isobutylacetic acid
  • 4-Methylpentanoic acid
  • 4-Methylvaleric acid
  • 4,4-Dimethylbutanoic acid
Formula
(CH3)2CHCH2CH2COOH
Structure
Description
Colorless liquid.
Uses
Used as an intermediate in the manufacture of plasticizers, pharmaceuticals, and perfumes; occurs naturally in many edible plants and dairy products.

Registry Numbers and Inventories.
CAS
646-07-1
EC (EINECS/ELINCS)
211-464-0
EC Class
harmful, corrosive
R 21 34
S 26 36/37/39 45
RTECS
NR2975000
RTECS class
Primary Irritant
UN (DOT)
1760
Beilstein/Gmelin
1741912
Beilstein Reference
4-02-00-00944
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C6H12O2
Formula mass
116.16
Melting point, °C
-35
Boiling point, °C
200
Vapor pressure, mmHg
0.13 (25 C)
Vapor density (air=1)
4.00
Saturation Concentration
Very low
Density
0.9192 g/cm3 (20 C)
Solubility in water
Slightly soluble
Refractive index
1.4124 (25 C)
pKa/pKb
4.78 (pKa)
Partition coefficient, pKow
1.66
Heat of vaporization
48.2 kJ/mol
Heat of combustion
-3506 kJ/mol

Hazards and Protection.
Storage
Keep away from sources of ignition. Store in a tightly closed container. Corrosives area. Store in a cool, dry area away from incompatible substances.
E
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant a respirator's use.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Provide ventilation.
Disposal code
4
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong bases.
Decomposition
Carbon monoxide, carbon dioxide.

Fire.
Flash Point,°C
89
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing media: This material is lighter than water and insoluble in water. The fire could easily be spread by the use of water in an area where the water cannot be contained. In case of fire use water spray, dry chemical, carbon dioxide, or chemical foam.
Fire potential
Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.
Hazards
Contact with metals may evolve flammable hydrogen gas.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
3
 
Flammability
1
 
 
Reactivity
0
 

Health.
Exposure effects
Effects may be delayed.
   Ingestion
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
   Inhalation
Causes chemical burns to the respiratory tract. Inhalation may be fatal as a result of spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Aspiration may lead to pulmonary edema. May cause systemic effects.
   Skin
Harmful if absorbed through the skin. Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
   Eyes
Causes eye burns. May cause chemical conjunctivitis and corneal damage.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   Inhalation
Get medical aid immediately. Remove from exposure to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth respiration if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
   Skin
Get medical aid immediately. Immediately flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
   Eyes
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub or keep eyes closed. Extensive irrigation is required (at least 30 minutes).

Transport.
UN number
1760
Response guide
Hazard class
8
Packing Group
I; II; III
 
HS Code
2915 90 80