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1-methyl xanthine
3,7-dihydro-1-methyl-1H-purine-2,6-dione

Supplier Sponsors

Name:1-methyl-3,7-dihydropurine-2,6-dione
CAS Number: 6136-37-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:228-108-5
FDA UNII: 7EE8WCA32U
Nikkaji Web:J2.241A
Beilstein Number:0171507
MDL:MFCD00005561
XlogP3:-0.30 (est)
Molecular Weight:166.14022000
Formula:C6 H6 N4 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 5340 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
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)
 
Safety Information:
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
 
Safety in Use Information:
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.
 
Safety References:
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
 
References:
 1-methyl-3,7-dihydropurine-2,6-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):80220
Pubchem (cas):6136-37-4
 
Other Information:
(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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
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-
 
 
Notes:
1-methylxanthine is the major metabolites of caffeine in the human. The oxidation of 1-methylxanthine to 1-methyluric acid occurred so rapidly that the parent compound could not be detected in plasma, and only low concentrations could be detected in brain. (PMID: 28863020 [HMDB]
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