| Category: | natural substances and extractives |
|---|---|
| IUPAC Name: | patchoulenone |
| InChI : | InChI=1/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3 |
| Std.InChI: | InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(14(15,3)4)13(16)12(9)15/h10-11H,5-8H2,1-4H3 |
| InChIKey : | JAWSHISYWRRQQQ-UHFFFAOYAP |
| Std.InChIKey: | JAWSHISYWRRQQQ-UHFFFAOYSA-N |
| SMILES : | CC=1CCC23C=1C(=O)C(CCC2C)C3(C)C |
| Molar Refractivity : | 64.90 ± 0.4 cm3 (est) |
| Parachor : | 516.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.524 ± 0.03 (est) |
| Surface Tension : | 35.2 ± 5.0 dyne/cm (est) |
| Density : | 1.03 ± 0.1 g/cm3 (est) |
| Polarizability : | 25.73 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 0.4718 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 patchoulenone usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for patchoulenone flavor usage levels up to: | |||
| not for flavor use. | |||
| 4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5320424 |
| Pubchem (cas): | NF0490 |
| (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): | HMDB35747 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| None Found |
| None Found |
| 4,10,11,11- | tetramethyltricyclo[5.3.1.01,5]undec-4-en-6-one |
| 2.4,10,11,11- | tetramethyltricyclo[5.3.1.0;{1,5}]undec-4-en-6-one |
