Thermo Scientific Chemicals 3-Isobutyl-1-methylxanthine, 99+%

Description

CAS: 28822-58-4 | C10H14N4O2 | 222.25 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 28822-58-4
• Molecular Formula: C10H14N4O2
• Molecular Weight (g/mol): 222.25
• MDL Number: MFCD00005584
• InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N
• Synonym: 3-isobutyl-1-methylxanthine, ibmx, isobutylmethylxanthine, 1-methyl-3-isobutylxanthine, methylisobutylxanthine, 3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione, xanthine, 3-isobutyl-1-methyl, 3-isobutyl-1-methyxanthine, 1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl, methyl-isobutylxanthine
• PubChem CID: 3758
• ChEBI: CHEBI:43253
• SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

• CAS Min %: 99.0
• CAS Max %: 100.0
• Melting Point: 200.0°C to 203.0°C
• Color: White to Beige
• Infrared Spectrum: Authentic
• Assay Percent Range: 99+%
• Packaging: Glass bottle
• Quantity: 1 g
• Beilstein: 26, IV, 2350
• Solubility Information: Solubility in water: almost insoluble. Other solubilities: soluble in ethanol,2-propanol
• IUPAC Name: 1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
• Formula Weight: 222.25
• Percent Purity: 99+%
• Physical Form: Fluffy Crystalline Powder
• Chemical Name or Material: 3-Isobutyl-1-methylxanthine

Safety and Handling

Hazard Category	GHS Signal Word: Warning
Hazard Statement	GHS H Statement Harmful if swallowed.
Precautionary Statement	GHS P Statement IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
EINECSNumber	249-259-3

SDS

RUO – Research Use Only