Product Identification

Product Name

(S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol

Synonyms

(3S)-3-(4-Hydroxyphenyl)chroman-7-ol
(R,S)-Equol
(S)-(-)-4',7-Isoflavandiol
(S)-3,4-Dihydro-3-(4-hydroxyphenyl)-2H-1-benzopyran-7-ol
Equol

CAS

531-95-3

Formula

C15H14O3

Molecular Weight

242.27

EINECS

208-522-2

Merck

12,3677

Physical and Chemical Properties

Appearance

White to off-white to light yellow crystalline powder.

Solubility in water

Insoluble

Melting Point

189 - 190.5

Boiling Point

442

Vapor Pressure

2.1E-8 (25 C)

Density

1.286 g/cm3 (20 C)

pKa/pKb

9.67 (pKa)

Partition Coefficient

2.98

Heat Of Vaporization

72.6 kJ/mol

Usage

May have beneficial effects on the incidence of prostate cancer.

First Aid Measures

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.

Handling and Storage

Storage

Store at -20 C.

Exposure Controls/Personal Protection

Personal Protection

Wear self-contained breathing apparatus, protective clothing and heavy rubber gloves. Chemical safety goggles.

Respirators

NIOSH/MSHA-approved respirato

Exposure Effects

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

Fire Fighting Measures

Flash Point

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.

Accidental Release Measures

Small spills/leaks

Absorb solutions with finely-powdered liquid-binding material (diatomite, universal binders); decontaminate surfaces and equipment by scrubbing with alcohol.

Stability and Reactivity

Incompatibilities

Acids and bases.

Stability

Sensitive to light and heat.

Decomposition

Oxides of carbon.

Combustion Products

May emit toxic fumes under fire condition.