1,3-Dimethyl-1H-purine-2,6(3H,9H)-dione , 98% , 58-55-9

Synonym(s):
1,3-Dimethylxanthine;2,6-Dihydroxy-1,3-dimethylpurine;3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione;Theophylline

CAS NO.：58-55-9

Empirical Formula: C7H8N4O2

Molecular Weight: 180.16

MDL number: MFCD00079619

EINECS: 200-385-7

PRODUCT Properties

• Melting point: 271-273 °C
• Boiling point: 312.97°C (rough estimate)
• Density: 1.3640 (rough estimate)
• refractive index: 1.6700 (estimate)
• Flash point: 11 °C
• storage temp.: 2-8°C
• solubility: 0.1 M HCl: soluble
• form: powder
• pka: 8.77(at 25℃)
• color: white
• Water Solubility: 8.3 g/L (20 ºC)
• Merck: 14,9285
• BRN: 13463
• BCS Class: 3,1
• Stability: Stable. Incompatible with strong oxidizing agents.
• InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
• LogP: -0.020
• CAS DataBase Reference: 58-55-9(CAS DataBase Reference)
• IARC: 3 (Vol. 51) 1991
• NIST Chemistry Reference: 1,3-Dimethylxanthine(58-55-9)
• EPA Substance Registry System: Theophylline (58-55-9)

Description and Uses

Theophylline is a methylxanthine that acts as a weak bronchodilator. It is useful for chronic therapy and is not helpful in acute exacerbations.
Theophylline is a methylxanthine alkaloid that is a competitive inhibitor of phosphodiesterase (PDE; Ki = 100 μM). It is also a non-selective antagonist of adenosine A receptors (Ki = 14 μM for A1 and A2). Theophylline induces relaxation of feline bronchiole smooth muscle precontracted with acetylcholine (EC40 = 117 μM; EC80 = 208 μM). Formulations containing theophylline have been used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).

theophylline is tonic and skin conditioning. Its cosmetic activity is not clearly or definitively established. It is most often found in anti-cellulite products. Theophylline is in the same family of bio chemicals as caffeine. It is naturally occurring in tea.

Safety

• Symbol(GHS): GHS06
• Signal word: Danger
• Hazard statements: H301
• Precautionary statements: P264-P270-P301+P310-P405-P501
• Hazard Codes: Xn,T,F,Xi
• Risk Statements: 22-39/23/24/25-23/24/25-11-36/37/38
• Safety Statements: 7-16-36/37-45-36-26-24/25
• RIDADR: UN 2811 6.1/PG 3
• WGK Germany: 1
• RTECS: XH3850000
• F: 10-23
• TSCA: Yes
• HazardClass: 6.1(b)
• PackingGroup: III
• HS Code: 29395900
• Hazardous Substances Data: 58-55-9(Hazardous Substances Data)
• Toxicity: LD50 oral in rabbit: 350mg/kg