4',7-Isoflavandiol

  • (R,S)-Equol
  • (S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
  • (S)-(-)-4',7-Isoflavandiol
  • Equol
Formula
C15H14O3
Structure
Description
White to off-white to light yellow crystalline powder.

Registry Numbers and Inventories.
CAS
531-95-3
EC (EINECS/ELINCS)
208-522-2
Merck
12,3677

Properties.
Formula
C15H14O3
Formula mass
242.27
Melting point, °C
189 - 190.5
Boiling point, °C
442
Vapor pressure, mmHg
2.1E-8 (25 C)
Density
1.286 g/cm3 (20 C)
Solubility in water
Insoluble
pKa/pKb
9.67 (pKa)
Partition coefficient, pKow
2.98
Heat of vaporization
72.6 kJ/mol

Hazards and Protection.
Storage
Store at -20 C.
Protection
Wear self-contained breathing apparatus, protective clothing and heavy rubber gloves. Chemical safety goggles.
Respirators
NIOSH/MSHA-approved respirato
Small spills/leaks
Absorb solutions with finely-powdered liquid-binding material (diatomite, universal binders); decontaminate surfaces and equipment by scrubbing with alcohol.
Stability
Sensitive to light and heat.
Incompatibilities
Acids and bases.
Decomposition
Oxides of carbon.

Fire.
Flash Point,°C
221
Fire fighting
Suitable extinguishing agents: water spray, carbon dioxide, dry chemical powder or foam. Protective equipment: Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes.
Combustion products
May emit toxic fumes under fire condition.
Health
1
 
Flammability
0
 
 
Reactivity
0
 

Health.
Exposure effects
May be an irritant; may cause irritation to eyes, skin, mucous membranes.

First aid
 
   Ingestion
If swallowed, wash out mouth with copious amounts of water; call a physician.
   Inhalation
If inhaled, remove to fresh air; if breathing is difficult, give oxygen; if breathing stops, give artificial respiration.
   Skin
Flush with copious amounts of water; remove contaminated clothing and shoes; call a physician.
   Eyes
Flush with copious amounts of water; assure adequate flushing by separating the eyelids with fingers; call a physician.

Transport.