Product Identification

Product Name

3,7-Dimethyl-xanthine

Synonyms

2,6-Dihydroxy-3,7-dimethylpurine
3,7-Dimethylpurine-2,6-dione
3,7-Dimethylxanthine

CAS

83-67-0

Formula

C7H8N4O2

Molecular Weight

180.17

EINECS

201-494-2

RTECS

XH2275000

RTECS Class

Tumorigen; Drug; Mutagen; Reproductive Effector; Human Data

Merck

12,9418

Beilstein/Gmelin

16464

Beilstein Reference

5-26-13-00553

Physical and Chemical Properties

Appearance

Odorless white crystalline powder. Bitter taste.

Solubility in water

Very soluble

Melting Point

350

Density

1.419 g/cm3 (25 C)

pKa/pKb

9.9

Partition Coefficient

-.79

Heat Of Vaporization

Usage

Stimulant similar to caffeine which is found in all chocolate products.

First Aid Measures

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

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.

Eyes

Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.

Handling and Storage

Storage

Keep container closed when not in use. Store in a cool, dry area away from incompatible substances.

Handling

Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use only in a chemical fume hood.

Hazards Identification

Ingestion

May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. May cause nausea and anorexia. May cause kidney effects.

Inhalation

May cause respiratory tract irritation. May cause irritation of the mucous membranes.

Skin

May cause skin irritation. The toxicological properties of this material have not been fully investigated.

Eyes

May cause eye irritation.

EC Risk Phrase

R 22 40

EC Safety Phrase

S 22 36/37

Exposure Controls/Personal Protection

Personal 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

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.

Fire Fighting Measures

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. Extinguishing media: Use dry chemical, carbon dioxide, or appropriate foam.

Fire Potential

This material is probably combustible.

Accidental Release Measures

Small spills/leaks

Clean up spills immediately, using the appropriate protective equipment. Sweep up, then place into a suitable container for disposal. Provide ventilation.

Stability and Reactivity

Stability

Stable under normal temperatures and pressures.

Incompatibilities

Strong oxidizing agents.

Decomposition

Nitrogen oxides, carbon monoxide, carbon dioxide.