| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 65416-28-6 |
| ECHA EC Number: | 265-766-2 |
| FDA UNII: | Search |
| Category: | flavoring agents |
| IUPAC Name: | (Z)-3-hexen-1-yl senecioate |
| InChI : | InChI=1/C11H18O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5- |
| Std.InChI: | InChI=1S/C11H18O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5- |
| InChIKey : | NIWIFUKCMGYZHJ-WAYWQWQTBE |
| Std.InChIKey: | NIWIFUKCMGYZHJ-WAYWQWQTSA-N |
| SMILES : | CC/C=C/CCOC(=O)C=C(C)C |
| MDL: | MFCD00672756 |
| Molar Refractivity : | 54.74 ± 0.3 cm3 (est) |
| Parachor : | 465.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.458 ± 0.02 (est) |
| Surface Tension : | 28.8 ± 3.0 dyne/cm (est) |
| Density : | 0.908 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.70 ± 0.5 10-24cm3 (est) |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 244.30 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure: | 0.031000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 223.00 °F. TCC ( 106.20 °C. ) (est) |
| logP (o/w): | 4.200 (est) |
| Soluble in: | |
| alcohol | |
| water, 23.73 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| isoamyl senecioate | |
| citronellyl senecioate | |
| alpha-citronellyl senecioate | |
| ethyl senecioate | |
| phenethyl senecioate | |
| prenyl senecioate | |
| 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: | |||
| flavoring agents | |||
| Recommendation for (Z)-3-hexen-1-yl senecioate usage levels up to: | |||
| not for fragrance use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):65416-28-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6436994 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(Z)-hex-3-enyl] 3-methylbut-2-enoate |
| Chemidplus:0065416286 |
| [(Z)-hex-3-enyl] 3-methylbut-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65416-28-6 |
| Pubchem (cid): | 6436994 |
| Pubchem (sid): | 135061844 |
| (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 |
| Export Tariff Code: | 2916.19.7000 |
| ChemSpider: | View |
| None Found |
| None Found |
| not found in nature |
| [(Z)- | hex-3-enyl] 3-methylbut-2-enoate |
| 3- | hexen-1-yl 3-methyl isocrotonate |
| cis-3- | hexen-1-yl senecioate |
| (Z)-3- | hexenyl senecioate |
| cis-3- | hexenyl senecioate |
| None found yet. Try the PubMed Search. |
