3,7-Dihydro-1,7-dimethyl-1H-purin-2,6-dion

Faint yellow fine crystals; [MSDSonline]

Solid

134.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2052281]；136.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052281]

149.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；134 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；138.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

130.85 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；137.69 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；125.98 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；138.86 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

132.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

135.63 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]

133.24 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 3 of 45 reports by companies.；There are 2 notifications provided by 42 of 45 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

1,7-Dimethylxanthine

Pharmaceutical

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP