Articles:
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione benzoate (1:1)
Notes:
None found
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| CAS Number: | 5743-17-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 227-257-3 | |
| FDA UNII: | C2154V12SE | |
| Molecular Weight: | 316.31732000 | |
| Formula: | C15 H16 N4 O4 | |
| NMR Predictor: | Predict (works with chrome 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 |
| PubMed: | Search |
| NCBI: | 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 |
Suppliers:
| 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 | |
| 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: | 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:
| ClinicalTrials.gov: | 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 | |
| Chemidplus: | 0005743179 |
References:
| 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 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 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) |