| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 32663-57-3 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | (Z)-beta-elemenone |
| InChI : | InChI=1/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15-/m1/s1 |
| Std.InChI: | InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15-/m1/s1 |
| InChIKey : | ABLPGPHZENVRRH-UKRRQHHQBT |
| Std.InChIKey: | ABLPGPHZENVRRH-UKRRQHHQSA-N |
| SMILES : | C=C[C@]1(C)CC(=O)C(\C[C@@H]1C(=C)C)=C(\C)C |
| Molar Refractivity : | 70.04 ± 0.3 cm3 (est) |
| Parachor : | 555.4 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.522 ± 0.02 (est) |
| Surface Tension : | 34.2 ± 3.0 dyne/cm (est) |
| Density : | 0.950 ± 0.06 g/cm3 (est) |
| Polarizability : | 27.76 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.9846 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 (Z)-beta-elemenone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (Z)-beta-elemenone 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 |
| Laboratory Chemical Safety Summary :22211636 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4R,5S)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one |
| (4R,5S)-5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 22211636 |
| Pubchem (cas): | 32663-57-3 |
| 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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| beta-cis- | elemenone |
| cis-beta- | elemenone |
| (4R,5S)-5- | ethenyl-5-methyl-2-(propan-2-ylidene)-4-(prop-1-en-2-yl)cyclohexanone |
| (4R,5S)-5- | ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one |
| None found yet. Try the PubMed Search. |
