| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 58437-70-0 |
| ECHA EC Number: | 261-251-1 |
| FDA UNII: | Search |
| Category: | fragrance agents |
| IUPAC Name: | (Z)-patchenyl acetate |
| InChI : | InChI=1/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3/b12-6- |
| Std.InChI: | InChI=1S/C13H20O2/c1-9(14)15-7-6-12-10-4-5-11(8-10)13(12,2)3/h6,10-11H,4-5,7-8H2,1-3H3/b12-6- |
| InChIKey : | DVZKEXVVDIXSMK-SDQBBNPIBB |
| Std.InChIKey: | DVZKEXVVDIXSMK-SDQBBNPISA-N |
| SMILES : | CC(=O)OC/C=C\1/C2CCC(C2)C1(C)C |
| Molar Refractivity : | 61.57 ± 0.3 cm3 (est) |
| Parachor : | 493.2 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.536 ± 0.02 (est) |
| Surface Tension : | 39.0 ± 3.0 dyne/cm (est) |
| Density : | 1.055 ± 0.06 g/cm3 (est) |
| Polarizability : | 24.41 ± 0.5 10-24cm3 (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 272.30 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 218.00 °F. TCC ( 103.10 °C. ) (est) |
| logP (o/w): | 4.040 (est) |
| Soluble in: | |
| water, 8.429 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: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for (Z)-patchenyl acetate flavor usage levels up to: | |||
| not for flavor use. | |||
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):58437-70-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6436714 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate |
| Chemidplus:0002226031 |
| [(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6436714 |
| Pubchem (sid): | 135059048 |
| (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 |
| (Z)-2-(3,3- | dimethyl bicyclo(2.2.1)hept-2-ylidene) ethyl acetate |
| [(2Z)-2-(3,3- | dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate |
| (Z)-2-(2,2- | dimethyl-3-norbornylidene)ethyl acetate |
| (Z)-2-(3,3- | dimethylbicyclo(2.2.1)hept-2-ylidene)ethyl acetate |
| ethanol, (Z)-2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate | |
| ethanol, (Z)-2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, acetate | |
| cis- | patchenyl acetate |
| None found yet. Try the PubMed Search. |
