| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 71660-03-2 |
| FDA UNII: | R0Y6Z84L2T |
| Category: | flavoring agents |
| IUPAC Name: | cis+trans-para-1(7)8-menthadien-2-yl acetate |
| InChI : | InChI=1/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3 |
| Std.InChI: | InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3 |
| InChIKey : | CCLNPVCMIJDJLR-UHFFFAOYAK |
| Std.InChIKey: | CCLNPVCMIJDJLR-UHFFFAOYSA-N |
| SMILES : | O=C(OC1C(=C)\CCC(\C(=C)C)C1)C |
| Molar Refractivity : | 56.45 ± 0.4 cm3 (est) |
| Parachor : | 473.3 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.468 ± 0.03 (est) |
| Surface Tension : | 29.5 ± 5.0 dyne/cm (est) |
| Density : | 0.95 ± 0.1 g/cm3 (est) |
| Polarizability : | 22.37 ± 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 |
| JECFA Food Flavoring: | 1098 cis and trans-p-1(7)8-menthadien-2-yl acetate |
| DG SANTE Food Flavourings: | 09.930 cyclohexanol, 2-methylene-5-(1-methylethenyl)-, acetate |
| FEMA Number: | 3848 menthadienyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96400 to 0.97000 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.021 to 8.071 |
| Refractive Index: | 1.47300 to 1.47900 @ 20.00 °C. |
| Boiling Point: | 77.00 to 79.00 °C. @ 0.10 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.031000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 198.00 °F. TCC ( 92.22 °C. ) |
| logP (o/w): | 3.314 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.617 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Axsyn |
| For experimental / research use only. |
| Cyclohexanol,2-methylene-5-(1-methylethenyl)-, 1-acetate |
| Parchem |
| cis+trans-para-1(7)8-menthadien-2-yl 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: | |||
| flavoring agents | |||
| Recommendation for cis+trans-para-1(7)8-menthadien-2-yl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.61 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.60 (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 2.00000 | 10.00000 | |
| beverages(alcoholic): | 5.00000 | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 50.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 5.00000 | 20.00000 | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 5.00000 | 20.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 211 (FGE.211): Consideration of genotoxicity data on representatives for one alpha,beta-unsaturated ketone and three precursors from chemical subgroup 2.5 of FGE.19 by EFSA View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 51, Revision 1 (FGE.51Rev1): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by the JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev3 (2011) View page or View pdf |
| Flavouring Group Evaluation 51, Revision 2 (FGE.51Rev2): Consideration of alicyclic ketones and secondary alcohols and related esters evaluated by JECFA (59th meeting) structurally related to alicyclic ketones secondary alcohols and related esters in FGE.09Rev6 (2015) View page or View pdf |
| 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 :524461 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate |
| Chemidplus:0071660032 |
| (2-methylidene-5-prop-1-en-2-ylcyclohexyl) acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 524461 |
| Pubchem (sid): | 10540655 |
| (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): | HMDB38292 |
| FooDB: | FDB017621 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FL | herbal |
| FL | mint |
| FL | spearmint |
| FL | wintergreen |
| acetic acid p-1(7),8-menthadien-2-yl ester | |
| acetic acid p-mentha-1(7),8-dien-2-yl ester | |
| acetic acid para-1(7),8-menthadien-2-yl ester | |
| acetic acid, p-1(7),8-menthadien-2-yl ester | |
| cyclohexanol, 2-methylene-5-(1-methylethenyl)-, acetate | |
| p- | mentha-1(7),8-dien-2-yl acetate |
| para- | mentha-1(7),8-dien-2-yl acetate |
| cis and trans-p-1(7)8- | menthadien-2-yl acetate |
| cis+trans-p-1(7)8- | menthadien-2-yl acetate |
| menthadienyl acetate | |
| 2- | methylene-5-isopropenyl-cyclohexyl acetate |
| 2- | methylene-5-isopropenylcyclohexyl acetate |
| 2- | methylidene-5-(prop-1-en-2-yl)cyclohexyl acetate |
| (2- | methylidene-5-prop-1-en-2-ylcyclohexyl) acetate |
| 5-iso | propenyl-2-methylenecyclohexyl acetate |
