EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

caffeine benzoate
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione benzoate (1:1)

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CAS Number: 5743-17-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:227-257-3
Molecular Weight:316.31732000
Formula:C15 H16 N4 O4
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:cosmetic ingredient for skin conditioning
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
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 416.80 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000000 mmHg @ 25.00 °C. (est)
Flash Point: 403.00 °F. TCC ( 205.90 °C. ) (est)
logP (o/w): -0.131 (est)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: skin conditioning
Aston Chemical
For experimental / research use only.
Caffeine Benzoate
BOC Sciences
For experimental / research use only.
Caffeine Benzoate
Safety Information:
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
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:
cosmetic ingredient for skin conditioning
Recommendation for caffeine benzoate usage levels up to:
 not for fragrance use.
Recommendation for caffeine benzoate flavor usage levels up to:
 not for flavor use.
Safety References:
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :64120
National Institute of Allergy and Infectious Diseases:Data
benzoic acid;1,3,7-trimethylpurine-2,6-dione
 benzoic acid;1,3,7-trimethylpurine-2,6-dione
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):64120
Pubchem (sid):135022112
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
HMDB (The Human Metabolome Database):Search
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 benzoic acid;1,3,7-trimethylpurine-2,6-dione
1H-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, benzoate (1:1)
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione benzoate (1:1)


PubMed:Caffeine in children with obstructive sleep apnea.
PubMed:Effect of beta-mercaptoethanol during in vitro fertilization procedures on sperm penetration into porcine oocytes and the early development in vitro.
PubMed:Apnea following spinal anaesthesia in two former pre-term infants.
PubMed:A method for the separation of delta bilirubin using Cibacron Blue affinity chromatography.
PubMed:Sensitization and individual differences to IP amphetamine, cocaine, or caffeine following repeated intracranial amphetamine infusions.
PubMed:The addition of intravenous caffeine during an amobarbital interview.
PubMed:Pharmacokinetics of intravenous caffeine in critically ill patients.
PubMed:The caffeine contracture test for malignant hyperthermia: caffeine citrate, caffeine benzoate or caffeine free base?
PubMed:[Increasing the effectiveness of lymphosorption in patients with mechanical jaundice].
PubMed:The use of Bond-Elut for the estimation of serum bile pigments bonded covalently to albumin.
PubMed:Biliprotein in adult icteric serum--demonstrated by extension of the alkaline methanolysis procedure.
PubMed:Isolation and preliminary characterization of a fraction of bilirubin in serum that is firmly bound to protein.
PubMed:[Effect of caffeine and caffeine benzoate on the DNA damage in irradiated cultured cells].
PubMed:[Changes in oxidative phosphorylation following exposure to sodium caffeine benzoate].
PubMed:[Patterns in the development of a nonspecific cellular reaction and the modification of chemical protection. 1. The dependence of the development of a nonspecific cellular reaction on the conditions of cysteamine and caffeine benzoate exposure and its explanation].
PubMed:[Stability and anti-inflammatory action of an injection solution of sodium salicylate with sodium caffeine-benzoate].
PubMed:[Analysis of caffeine-benzoate sodium, phenobarbital, diphenine and bromisoval in multi-component medicinal forms].
PubMed:[A case of inadequate action of sodium caffeine benzoate on the organism].
PubMed:[Experimental studies on the changes in permeability of the pial vessels induced by caffeine benzoate].
PubMed:[Action of caffeine on the isolated frog heart. I. Spreading of diastolic action on the isolated toad heart by very small doses of caffeine: the so-called caffeine benzoate and sodium obstruct the action of pure caffeine].
None found
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