| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 6136-37-4 |
| ECHA EC Number: | 228-108-5 |
| FDA UNII: | 7EE8WCA32U |
| Category: | information only not used for fragrances or flavors |
| IUPAC Name: | 1-methyl xanthine |
| InChI : | InChI=1/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
| Std.InChI: | InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12) |
| InChIKey : | MVOYJPOZRLFTCP-UHFFFAOYAI |
| Std.InChIKey: | MVOYJPOZRLFTCP-UHFFFAOYSA-N |
| SMILES : | CN1C(=O)C2=C(NC1=O)N=CN2 |
| MDL: | MFCD00005561 |
| Molar Refractivity : | 39.73 ± 0.5 cm3 (est) |
| Parachor : | 273.6 ± 8.0 cm3 (est) |
| Index of Refraction : | 1.827 ± 0.05 (est) |
| Surface Tension : | 82.8 ± 7.0 dyne/cm (est) |
| Density : | 1.83 ± 0.1 g/cm3 (est) |
| Polarizability : | 15.75 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 5340 mg/L @ 25 °C (est) | |
| None found |
| BOC Sciences |
| For experimental / research use only. |
| 1-Methylxanthine 95% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 1-Methylxanthine ≥97.0% (HPLC) |
| TCI AMERICA |
| For experimental / research use only. |
| 1-Methylxanthine >97.0%(HPLC)(T) |
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 1-methyl xanthine usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 1-methyl xanthine flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :80220 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-methyl-3,7-dihydropurine-2,6-dione |
| Chemidplus:0006136374 |
| RTECS:ZD8575000 for cas# 6136-37-4 |
| 1-methyl-3,7-dihydropurine-2,6-dione | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 80220 |
| Pubchem (cas): | 6136-37-4 |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEBI: | View |
| CHEMBL: | View |
| UM BBD: | Search |
| KEGG (GenomeNet): | C16358 |
| HMDB (The Human Metabolome Database): | HMDB10738 |
| FooDB: | FDB027885 |
| Export Tariff Code: | 2933.99.8290 |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| 3,7- | dihydro-1-methyl-1H-purine-2,6-dione |
| 1- | methyl-3,7-dihydropurine-2,6-dione |
| 1- | methylxanthine |
| 1H- | purine-2,6-dione, 3,7-dihydro-1-methyl- |
| xanthine, 1-methyl- |
| None found yet. Try the PubMed Search. |
