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Registration Dossier
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EC number: 200-362-1 | CAS number: 58-08-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Reference substances
- IUPAC name:
- 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Inventory
- EC number:
- 200-362-1
- EC name:
- Caffeine
- CAS number:
- 58-08-2
- CAS number:
- 58-08-2
Synonyms
- Names:
- 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
- Identifier:
- CAS number
- 58-08-2
- Identifier:
- EC number
- 200-362-1
- Identifier:
- IUPAC name
- 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
- Identifier:
- IUPAC name
- 1,3,7-trimethylpurine-2,6-dione
- Identifier:
- IUPAC name
- Caffeine
- Identifier:
- other: SMILES notation
- CN1C=NC2=C1C(=O)N(C(=O)N2C)C
- Identifier:
- other: InChl
- InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Molecular and structural information
- Molecular formula:
- C8H10N4O2
- Molecular weight:
- 194.191
- SMILES notation:
- CN1C(=O)N(C)c2ncn(C)c2C1=O
- InChl:
- InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
- Structural formula:
Related substances
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