caffeine

Full Material List
1,3,7-trimethylpurine-2,6-dione

Identifiers

FEMA 2224
CAS 58-08-2
EINECS 200-362-1
Synonyms
  • biogenic caffeine-210
  • caffeine anhydrous
  • caffeine anhydrous USP
  • caffeine natural
  • caffeine USP FCC powder anhydrous
  • coffeine
  • 3,7- dihydro-1,3,7-trimethyl-1H-purine
  • guaranine
  • methyl theobromine
  • 7- methyl theophylline
  • 1- methyl-theobromine
  • 1H- purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
  • theine
  • 1,3,7- trimethyl xanthine
  • 1,3,7- trimethyl-1,3,7-trihydropurine-2,6-dione
  • 1,3,7- trimethyl-1H-purine-2,6(3H,7H)-dione
  • 1,3,7- trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 1,3,7- trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine
  • 1,3,7- trimethyl-2,6-dioxopurine
  • 1,3,7- trimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 1,3,7- trimethyl-3,7-dihydro-purine-2,6-dione
  • 1,3,7- trimethylpurine-2,6-dione
JECFA Food Flavoring N/A
JECFA Food Additive N/A
DG SANTE Food Flavourings 16.016 caffeine
DG SANTE Food Contact Materials N/A
FDA UNII 3G6A5W338E
CoE Number 11741
XlogP3-AA -0.10 (est)
Molecular Weight 194.1941
Molecular Formula C8 H10 N4 O2

Organoleptic

Organoleptic Notes
  • 1. Odor Type: odorless Odor Strength:none
  • Odor Description:at 100.00 %. odorless
  • Odor Description:No apparent odorMosciano, Gerard P&F 16, No. 4, 45, (1991)
Odor odorless
Flavor astringent
bitter, astringent, metallic,

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Properties

Food Chemicals Codex Listed Yes
Appearance white crystalline prisms (est)
Assay 98.00 to 100.00
Specific Gravity N/A
Lbs/Gal (est) N/A
Refractive Index N/A
Melting Point 235.00 to 237.50 °C. @ 760.00 mm Hg
Boiling Point 416.79 °C. @ 760.00 mm Hg (est)
Flash Point > 350.00 °F. TCC ( > 176.67 °C. )
Acid Value N/A
Vapor Pressure 15.000000 mmHg @ 89.00 °C.
Vapor Density N/A
logP (o/w) -0.07
Soluble In
  • acetone, 1 gram in 50 ml acetone
  • alcohol, 1 gram in 22 ml alcohol of 60%
  • water, 1 gram in 46 ml water
  • water, 45.5 grams in 100 ml water @ 65C
  • water, 2.16E+04 mg/L @ 25 °C (exp)
Occurrence
  • cacao bean
  • cacao petiole
  • cacao testa
  • cherimoya seed
  • clover yellow sweet clover
  • coffee
  • coffee arabica coffee
  • coffee bean
  • coffee canephora coffee
  • coffee green coffee
  • guarana
  • kola
  • lemon
  • lemon flower
  • orange bud
  • orange flower
  • orange leaf
  • petitgrain orange
  • pomelo
  • tea anther
  • tea flower
  • tea green tea
  • tea leaf
  • tea pericarp
  • tea plant
  • tea seed
  • tea seed coat
  • tea shoot
  • tea stem
  • tea tissue culture