Ethyl isovalerate

  • Butanoic acid, 3-methyl-, ethyl ester
  • 3-Methylbutanoic acid ethyl ester
  • Ethyl 3-methylbutanoate
  • Ethyl isopentanoate
  • Isovaleric acid, ethyl ester
Formula
(CH3)2CHCH2COOC2H5
Structure
Description
A colorless oily liquid with a strong odor similar to apples.
Uses
Substance is used in alc solution for flavoring confectionery and beverages.

Registry Numbers and Inventories.
CAS
108-64-5
EC (EINECS/ELINCS)
203-602-3
EC Class
flammable
RTECS
NY1504000
RTECS class
Primary Irritant
UN (DOT)
1993
Merck
13,3849
Beilstein/Gmelin
1744677
Beilstein Reference
4-02-00-00898
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C7H14O2
Formula mass
130.19
Melting point, °C
-99
Boiling point, °C
131 - 133
Vapor pressure, mmHg
8 (25 C)
Vapor density (air=1)
4.49
Critical temperature
309
Density
0.88514 g/cm3 (0 C)
Solubility in water
Slightly soluble
Surface tension
23.68 g/s2 (20 C)
Refractive index
1.3954 (18.3 C)
Partition coefficient, pKow
2.12
Heat of vaporization
43.90 kJ/mol
Heat of combustion
-4187 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Handling
Wash thoroughly after handling. Use with adequate ventilation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. 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.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.
Disposal code
1
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents, strong reducing agents, strong acids, strong bases.
Decomposition
Carbon monoxide, carbon dioxide.

Fire.
Flash Point,°C
30
Upper exp. limit, %
6.9
Lower exp. limit, %
1.1
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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire. Extinguishing media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate.
Fire potential
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
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.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
1
 
Flammability
3
 
 
Reactivity
0
 

Health.
Exposure effects
   Ingestion
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
   Inhalation
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Vapors may cause dizziness or suffocation.
   Skin
Causes mild skin irritation.
   Eyes
Causes eye irritation.

First aid
 
   Ingestion
If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
   Inhalation
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
   Skin
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
   Eyes
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
1993
Response guide
Hazard class
3
Packing Group
I; II; III
 
HS Code
2915 60 90
 
Std. Transport #
4910569