Articles:
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Notes:
None found
| CAS Number: | 115610-29-2 |  3D/inchi
|
| FDA UNII: | G960R9S5SK | |
| Nikkaji Web: | J367.536J | |
| XlogP3: | 4.20 (est) | |
| Molecular Weight: | 284.31132000 | |
| Formula: | C17 H16 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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:
| Appearance: | white solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 498.57 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 365.00 °F. TCC ( 185.10 °C. ) (est) |
| logP (o/w): | 3.734 (est) |
| Soluble in: | |
| alcohol | |
| water, 48.91 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Changsha Organic Herb |
| Caffeic Acid Phenethyl Ester (CAPE) Phenethyl caffeate From propolis |
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: | natural substances and extractives | ||
| Recommendation for (E)-phenethyl caffeate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (E)-phenethyl caffeate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5281787 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| Chemidplus: | 0104594709 |
References:
| 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5281787 |
| Pubchem (sid): | 135065248 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C10484 |
| HMDB (The Human Metabolome Database): | Search |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •subtilisin a (prod code p5380) is supplied as a powder, essentially free of buffer salts. •alcalase 2.4l (prod code p4860) is supplied as an aqueous solution. | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| caffeic acid (E)-2-phenylethyl ester | |
| (E)-3-(3,4- | dihydroxy-phenyl)-acrylic acid phenethyl ester |
| (E)- | phenyl ethyl caffeate |
| 2- | phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate |
| 2- | phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| 2- | phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| (E)- | phenylethyl caffeate |
| 2- | propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (2E)- |
| 2- | propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)- |