| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 33522-69-9 |
| ECHA EC Number: | 251-559-4 |
| FDA UNII: | Search |
| Category: | natural substances and extractives |
| IUPAC Name: | verbenyl acetate |
| InChI : | InChI=1/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3 |
| Std.InChI: | InChI=1S/C12H18O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h5,9-11H,6H2,1-4H3 |
| InChIKey : | OZBFUQLOVFXDNK-UHFFFAOYAA |
| Std.InChIKey: | OZBFUQLOVFXDNK-UHFFFAOYSA-N |
| SMILES : | CC1=CC(C2CC1C2(C)C)OC(=O)C |
| Molar Refractivity : | 54.99 ± 0.3 cm3 (est) |
| Parachor : | 451.1 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.496 ± 0.03 (est) |
| Surface Tension : | 33.0 ± 6.0 dyne/cm (est) |
| Density : | 1.03 ± 0.1 g/cm3 (est) |
| Polarizability : | 21.80 ± 0.5 10-24cm3 (est) |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.060000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w): | 3.215 (est) |
| Soluble in: | |
| water, 30.19 mg/L @ 25 °C (est) | |
| 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 verbenyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for verbenyl acetate 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 :118088 |
| National Institute of Allergy and Infectious Diseases:Data |
| (4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate |
| Chemidplus:0033522699 |
| (4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 118088 |
| Pubchem (sid): | 135073927 |
| (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 |
| FooDB: | FDB006038 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate | |
| 4,6,6- | trimethyl bicyclo(3.1.1)hept-3-en-2-yl acetate |
| (4,7,7- | trimethyl-2-bicyclo[3.1.1]hept-3-enyl) acetate |
| 4,6,6- | trimethylbicyclo(3.1.1.)hept-3-en-2-yl acetate |
| 4,6,6- | trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate |
