Isoeugenol

  • 2-Methoxy-4-propenylphenol
  • Isoeugenol, mixture of cis/trans isomers
Formula
2-(CH3O)-4-(CH3CH=CH)C6H3OH
Structure
Description
Pale yellow oily liquid with a spice-clove odor.
Uses
Production of vanillin.

Registry Numbers and Inventories.
CAS
97-54-1
EC (EINECS/ELINCS)
202-590-7
EC Class
harmful
R 22 36/38
S 26 36/37/39
RTECS
SL7875000
RTECS class
Tumorigen; Mutagen; Primary Irritant
Merck
13,5189
Beilstein/Gmelin
1909602
Beilstein Reference
3-06-00-04993
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C10H12O2
Formula mass
164.21
Melting point, °C
-10
Boiling point, °C
266
Vapor pressure, mmHg
0.0052 (25 C)
Vapor density (air=1)
5.7
Density
1.0994 g/cm3 (4 C)
Solubility in water
Insoluble
Viscosity
26.72 cp (25 C)
Refractive index
1.5617 (18 C)
pKa/pKb
10.15 (pKa)
Partition coefficient, pKow
2.45
Heat of vaporization
52.5 kJ/mol
Heat of combustion
-5351 kJ/mol

Hazards and Protection.
Storage
Store in a cool, dry place. Keep container closed when not in use.
Handling
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Protection
Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.
Respirators
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
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Remove all sources of ignition. Provide ventilation.
Disposal code
1
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Oxidizing agents.
Decomposition
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.

Fire.
Flash Point,°C
123
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. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.
Fire potential
This chemical is combustible.
Health
2
 
Flammability
1
 
 
Reactivity
0
 

Health.
Exposure effects
   Ingestion
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
   Inhalation
Inhalation of vapor may cause respiratory tract irritation. May cause respiratory difficulty and coughing.
   Skin
Causes skin irritation.
   Eyes
Causes eye irritation.

First aid
 
   Ingestion
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
   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
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
20. Alcohols. Glycols
HS Code
2909 50 90