| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 15802-62-7 |
| FDA UNII: | 2B50D0O5PD |
| Category: | flavor and fragrance agents |
| IUPAC Name: | (E)-ethyl alpha-acetyl cinnamate |
| InChI : | InChI=1/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+ |
| Std.InChI: | InChI=1S/C13H14O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b12-9+ |
| InChIKey : | AYZGINZXVVKWKV-FMIVXFBMBG |
| Std.InChIKey: | AYZGINZXVVKWKV-FMIVXFBMSA-N |
| SMILES : | CCOC(=O)/C(=C/C1=CC=CC=C1)/C(=O)C |
| Molar Refractivity : | 62.32 ± 0.3 cm3 (est) |
| Parachor : | 495.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.545 ± 0.02 (est) |
| Surface Tension : | 40.1 ± 3.0 dyne/cm (est) |
| Density : | 1.108 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.70 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 455.8 mg/L @ 25 °C (est) | |
| None found |
| None found |
| 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 | |
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 :5376216 |
| National Institute of Allergy and Infectious Diseases:Data |
| ethyl (2E)-2-benzylidene-3-oxobutanoate |
| Chemidplus:0015802627 |
| ethyl (2E)-2-benzylidene-3-oxobutanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5376216 |
| Pubchem (sid): | 10453806 |
| (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 |
| None Found |
| None Found |
| not found in nature |
| butanoic acid, 3-oxo-2-(phenylmethylene)-, ethyl ester, (2E)- | |
| ethyl (2E)-2-benzylidene-3-oxobutanoate | |
| ethyl (2E)-3-oxo-2-(phenylmethylene)butanoate | |
| ethyl (2E)-3-oxo-2-(phenylmethylidene)butanoate | |
| (E)- | ethyl .alpha.-acetylcinnamate |
| (E)- | ethyl 2-acetyl cinnamate |
| (E)- | ethyl 2-acetylcinnamate |
| (E)- | ethyl 2-benzylidene acetoacetate |
| (E)- | ethyl 2-benzylideneacetoacetate |
| (E)- | ethyl alpha-acetylcinnamate |
| (E)- | ethyl-2-benzylidene-3-oxobutanoate |
| None found yet. Try the PubMed Search. |
