Isobutyl isobutyrate

  • 2-Methylpropanoic acid, 2-methylpropyl ester
Formula
(CH3)2CHCOOCH2CH(CH
Structure
Description
Colorless liquid. Fruity odor.
Uses
Flavoring, insect repellent, nitrocellulose lacquers and thinners, substitute for methyl amyl acetate.

Registry Numbers and Inventories.
CAS
97-85-8
EC (EINECS/ELINCS)
202-612-5
EC Class
flammable
RTECS
NQ5250000
RTECS class
Other
UN (DOT)
2528
Merck
13,5161
Beilstein/Gmelin
1701355
Beilstein Reference
4-02-00-00847
Swiss Giftliste 1
G-4075
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C8H16O2
Formula mass
144.21
Melting point, °C
-80.7
Boiling point, °C
147
Vapor pressure, mmHg
5.1 (25 C)
Vapor density (air=1)
4.97
Saturation Concentration
5698 ppm (0.6%) at 25 C (calculated)
Density
0.8752 g/cm3 (0 C)
Solubility in water
Insoluble
Surface tension
33.8 g/s2 (-77 C)
Refractive index
1.3986 (18.2 C)
Partition coefficient, pKow
2.47
Heat of vaporization
38.2 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area.
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid contact with heat, sparks and flame. Use only in a chemical fume hood. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
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. Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary.
Small spills/leaks
Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition. Use a spark-proof tool. A vapor suppressing foam may be used to reduce vapors.
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong bases.
Decomposition
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.

Fire.
Flash Point,°C
38
Autoignition, °C
432
Upper exp. limit, %
7.6
Lower exp. limit, %
1
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Water runoff can cause environmental damage. Dike and collect water used to fight fire. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Will react with water to form toxic and corrosive fumes. Containers may explode when heated. Extinguishing media: Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. In case of fire, use carbon dioxide, dry chemical powder or appropriate foam.
Fire potential
HIGHLY FLAMMABLE.
Hazards
Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. May polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Combustion products
Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.
Health
0
 
Flammability
3
 
 
Reactivity
0
 

Health.
Poison_Class
-
Exposure effects
The toxological properties of this substance have not been fully investigated.
   Ingestion
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression.
   Inhalation
Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Vapor or mist is irritating to the mucous membranes and upper respiratory tract. Inhalation at high concentrations may cause CNS depression and asphixiation. May cause burning sensation in the chest.
   Skin
May cause skin irritation. May be absorbed through the skin.
   Eyes
May cause eye irritation.

First aid
 
   Ingestion
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen.
   Skin
Get medical aid immediately. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.

Transport.
UN number
2528
Response guide
Hazard class
3
Packing Group
III
 
USCG CHRIS Code
BIB
 
HS Code
2915 60 19
 
Std. Transport #
4912539
 
IMO Chemical Code
17
IMO Pollution Category
B
IMO Hazard code
P