| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 1078-95-1 |
| ECHA EC Number: | 214-085-9 |
| FDA UNII: | TRE9OV3CFK |
| Category: | flavor and fragrance agents |
| IUPAC Name: | pinocarvyl acetate |
| InChI : | InChI=1/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3 |
| Std.InChI: | InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3 |
| InChIKey : | UDBAGFUFASPUFS-UHFFFAOYAF |
| Std.InChIKey: | UDBAGFUFASPUFS-UHFFFAOYSA-N |
| SMILES : | CC(=O)OC1CC2CC(C1=C)C2(C)C |
| Molar Refractivity : | 54.85 ± 0.4 cm3 (est) |
| Parachor : | 452.7± 6.0 cm3 (est) |
| Index of Refraction : | 1.488 ± 0.03 (est) |
| Surface Tension : | 32.1 ± 5.0 dyne/cm (est) |
| Density : | 1.02 ± 0.1 g/cm3 (est) |
| Polarizability : | 21.74 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| FEMA Number: | 4807 pinocarvyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 232.00 to 234.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.058000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 186.00 °F. TCC ( 85.56 °C. ) |
| logP (o/w): | 3.187 (est) |
| Soluble in: | |
| alcohol | |
| water, 25.86 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| BOC Sciences |
| For experimental / research use only. |
| Pinocarvyl Acetate |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Other Specification: | <10 mmoles/liter peroxide | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 27 | |||
| Click here to view publication 27 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.10000 | 5.00000 | |
| beverages(alcoholic): | 0.50000 | 7.50000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 0.50000 | 7.50000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 0.50000 | 7.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 0.10000 | 5.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.50000 | 7.50000 | |
| imitation dairy: | 0.10000 | 5.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.10000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 0.50000 | 7.50000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1078-95-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :102553 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate |
| Chemidplus:0001078951 |
| (6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1078-95-1 |
| Pubchem (cid): | 102553 |
| Pubchem (sid): | 135058418 |
| (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: | FDB003978 |
| Export Tariff Code: | 2915.39.9050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| None Found |
| None Found |
| bicyclo(3.1.1)heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate | |
| bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, acetate | |
| 6,6- | dimethyl-2-methylene bicyclo(3.1.1)hept-3-yl acetate |
| (1R-(1a,3a,5a))-6,6- | dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate |
| 6,6- | dimethyl-2-methylenebicyclo(3.1.1)hept-3-yl acetate |
| 6,6- | dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate |
| 6,6- | dimethyl-2-methylidenebicyclo[3.1.1]hept-3-yl acetate |
| (6,6- | dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate |
| 2(10)- | pinen-3-ol acetate |
| beta- | pinen-3-yl acetate |
| pinocarvyl acetate |
