caffeine carboxylic acid

Full Material List
N/A

Identifiers

FEMA N/A
CAS 652-37-9
EINECS 211-490-2
Synonyms
  • acefylline
  • acephylline
  • 7-( carboxymethyl)theophylline
  • (1,3- dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetic acid
  • (1,3- dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetic acid
  • 2-(1,3- dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetic acid
  • 2-(1,3- dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetic acid
  • 2-(1,3- dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetic acid
  • 2-(1,3- dimethyl-2,6-dioxopurin-7-yl)acetic acid
  • 1,3- dimethylxanthin-7-ylacetic acid
  • 1,3- dimethylxanthine-7-acetic acid
  • purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 7H- purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 7H- purine-7-acetic acid, 1,2,3,6, -tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1,2,3,6- tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid
  • 1,2,3,6- tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetic acid
  • theophyllin-7-ylacetic acid
  • theophylline-7-acetic acid
  • theophylline-7-aceticacid
  • theophylline-7acetic acid
  • theophyllineacetic acid
  • 7- theophyllineacetic acid
  • 7- theophyllinylacetic acid
JECFA Food Flavoring N/A
JECFA Food Additive N/A
DG SANTE Food Flavourings N/A
DG SANTE Food Contact Materials N/A
FDA UNII M494UE2YEP
CoE Number N/A
XlogP3-AA -0.80 (est)
Molecular Weight 238.2035
Molecular Formula C9 H10 N4 O4

Organoleptic

Organoleptic Notes
  • Odor and/or flavor descriptions from others (if found).
Odor N/A
Flavor N/A

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Properties

Food Chemicals Codex Listed No
Appearance N/A
Assay 95.00 to 100.00
Specific Gravity N/A
Lbs/Gal (est) N/A
Refractive Index N/A
Melting Point N/A
Boiling Point 555.70 °C. @ 760.00 mm Hg (est)
Flash Point 554.00 °F. TCC ( 289.90 °C. ) (est)
Acid Value N/A
Vapor Pressure N/A
Vapor Density N/A
logP (o/w) -0.490 (est)
Soluble In
  • water, 1030 mg/L @ 25 °C (exp)
  • water, 1.873e+004 mg/L @ 25 °C (est)
Occurrence
  • not found in nature