| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 94607-47-3 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | (E)-myroxide |
| InChI : | InChI=1/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+ |
| Std.InChI: | InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3/b8-6+ |
| InChIKey : | LIMXJCIGROLRED-SOFGYWHQBV |
| Std.InChIKey: | LIMXJCIGROLRED-SOFGYWHQSA-N |
| SMILES : | CC1(C)OC1C\C=C(/C)C=C |
| Molar Refractivity : | 47.63 ± 0.3 cm3 (est) |
| Parachor : | 403.4 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.457 ± 0.02 (est) |
| Surface Tension : | 28.3 ± 3.0 dyne/cm (est) |
| Density : | 0.870 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.88 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 91.95 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: | |||
| natural substances and extractives | |||
| Recommendation for (E)-myroxide usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (E)-myroxide flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| National Institute of Allergy and Infectious Diseases:Data |
| 2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dien-1-yl]oxirane |
| 2,2-dimethyl-3-[(2E)-3-methylpenta-2,4-dien-1-yl]oxirane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cas): | 94607-47-3 |
| Pherobase: | View |
| (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 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| None Found |
| None Found |
| 2,2- | dimethyl-3-((E)-3-methylpenta-2,4-dienyl)oxirane |
| 2,2- | dimethyl-3-[(2E)-3-methylpenta-2,4-dien-1-yl]oxirane |
| trans- | myroxide |
