Coumarin

  • 2H-1-Benzopyran-2-one
  • 1,2-Benzopyrone
Formula
C9H6O2
Structure
Description
Orthorhombic, rectangular plates. Pleasant, fragrant odor resembling that of vanilla beans.
Uses
Formerly important as a flavor and perfume in foods and pharmaceuticals.

Registry Numbers and Inventories.
CAS
91-64-5
EC (EINECS/ELINCS)
202-086-7
EC Class
harmful
R 22 40
S 22 36/37 45
RTECS
GN4200000
RTECS class
Tumorigen; Drug; Mutagen; Reproductive Effector; Human Data; Natural Product
UN (DOT)
2811
Merck
13,2588
Beilstein/Gmelin
383644
Beilstein Reference
5-17-10-00143
EPA OPP
127301
Swiss Giftliste 1
G-1445
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C9H6O2
Formula mass
146.15
Melting point, °C
67 - 69
Boiling point, °C
298
Vapor pressure, mmHg
0.0013 (25 C)
Vapor density (air=1)
5.04
Density
1.4 g/cm3 (25 C)
Solubility in water
Slightly soluble
Surface tension
44.81 g/s2 (100 C)
Partition coefficient, pKow
1.39
Heat of fusion
19.1 kJ/mol
Heat of vaporization
53.8 kJ/mol
Heat of combustion
-4139 kJ/mol

Hazards and Protection.
Storage
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Store protected from light.
Handling
Use only in a well ventilated area. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Wash clothing before reuse.
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 gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.
Respirators
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.
Small spills/leaks
Clean up spills immediately, using the appropriate protective equipment. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Disposal code
3
Stability
Stable under normal temperatures and pressures.
Incompatibilities
Strong oxidizing agents - strong acids - strong bases.
Decomposition
Carbon monoxide, carbon dioxide.

Fire.
Flash Point,°C
118
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. Substance is noncombustible. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.
Fire potential
This chemical is combustible.
Hazards
Contact with metals may evolve flammable hydrogen gas.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
2
 
Flammability
0
 
 
Reactivity
0
 

Health.
Poison_Class
3
Exposure effects
Chronic exposure may cause liver damage. Repeated exposure may cause central and peripheral nervous system damage and digestive tract disturbances.
   Ingestion
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver damage. May cause central nervous system depression.
   Inhalation
May cause respiratory tract irritation. May cause drowsiness, unconsciousness, and central nervous system depression.
   Skin
May cause skin irritation.
   Eyes
May cause eye irritation.

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 not breathing, give artificial respiration. If breathing is difficult, give oxygen.
   Skin
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. 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.
UN number
2811
Response guide
Hazard class
6.1
Packing Group
I; II; III
 
HS Code
2932 21 00