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menthadienyl acetate
Notes:
Isol. from Citrus natsudaidai oil
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 15111-97-4 4-Methyl-beta-methylenecyclohex-3-ene-1-ethyl acetate
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| CAS Number: | 15111-97-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 239-164-5 | |
| Nikkaji Web: | J241.401E | |
| CoE Number: | 10743 | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 194.27386000 | |
| Formula: | C12 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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 |
| DG SANTE Food Flavourings: | 09.809 p-mentha-1,8(10)-dien-9-yl acetate |
| FEMA Number: | 3848 menthadienyl acetate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 15111-97-4 ; CIS- AND TRANS-P-1(7),8-MENTHADIEN-2-YL ACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97100 to 0.97700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.080 to 8.130 |
| Refractive Index: | 1.47300 to 1.47900 @ 20.00 °C. |
| Boiling Point: | 77.00 to 79.00 °C. @ 0.10 mm Hg |
| Boiling Point: | 218.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 219.00 °F. TCC ( 104.00 °C. ) (est) |
| logP (o/w): | 3.815 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.704 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium |
| sweet fruity minty | |
| Odor Description: at 100.00 %. | sweet mild fruity minty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 4-Methyl-beta-methylenecyclohex-3-ene-1-ethyl acetate |
| Parchem |
| limonen-10-yl acetate |
Safety Information:
| 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 | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for limonen-10-yl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: | - | - | |
Safety References:
| 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): | |
| Scientific Opinion on Flavouring Group Evaluation 207 (FGE.207): Consideration of genotoxic potential for one branched-chain aliphatic acyclic a,ß-unsaturated 2-alkylated aldehyde with additional double-bonds, from subgroup 1.1.2 of FGE.19 and four alicyclic aldehydes with the a,ß-unsaturation in a side-chain, from subgroup 2.1 of FGE.19, which are considered to be covered by the one substance of subgroup 1.1.2, by EFSA View page or View pdf | |
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 61781 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 2-(4-methyl-1-cyclohex-3-enyl)prop-2-enyl acetate | |
| Chemidplus: | 0015111974 |
References:
| 2-(4-methyl-1-cyclohex-3-enyl)prop-2-enyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 15111-97-4 |
| Pubchem (cid): | 61781 |
| Pubchem (sid): | 135018757 |
Other Information:
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37018 |
| FooDB: | FDB015996 |
| Export Tariff Code: | 2915.39.9050 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| floral | ||
| citronellal diisotridecyl acetal | FR | |
| fruity | ||
| lilac lactone | FL/FR | |
| mentholic | ||
| menthyl acetate | FL/FR | |
| menthyl acetate racemic | FL/FR | |
| minty | ||
| carvyl propionate | FL/FR | |
| tropical | ||
| beta- | cyclocitral | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| carvyl propionate | FL/FR | |
| lilac lactone | FL/FR | |
| menthyl acetate racemic | FL/FR | |
| cooling | ||
| menthyl acetate | FL/FR | |
| tropical | ||
| beta- | cyclocitral | FL/FR |
Potential Uses:
| floral | FR | |
| fruit | FR |
Occurrence (nature, food, other): note
| citrus natsudaidai oil Search Trop Picture | |
| citrus x latifolia oil expressed @ trace% Data GC Search Trop Picture | |
| grapefruit juice Search Trop Picture | |
| grapefruit oil california @ 0.02% Data GC Search Trop Picture | |
| lemon oil Search Trop Picture | |
| mandarin oil Search Trop Picture | |
| orange essence oil Search PMC Picture | |
| orange fruit juice Search Trop Picture | |
| peppermint oil Search Trop Picture |
Synonyms:
| 3- | cyclohexene-1-ethanol, 4-methyl-β-methylene-, acetate |
| 10- | limonenol, acetate |
| P- | mentha-1,8(10)-dien-9-ol acetate |
| p- | mentha-1,8(10)-dien-9-yl acetate |
| para- | mentha-1,8(10)-dien-9-yl acetate |
| P- | mentha-1,8-dien-10-yl acetate |
| 1,8- | menthadien-10-ol acetate |
| 1,8-p- | menthadien-9-yl acetate |
| 1,8-para- | menthadien-9-yl acetate |
| menthadienyl acetate | |
| 2-(4- | methyl-1-cyclohex-3-enyl) prop-2-enyl acetate |
| 2-(4- | methyl-1-cyclohex-3-enyl)prop-2-enyl acetate |
| 4- | methyl-beta-methylene cyclohex-3-ene-1-ethyl acetate |
| 4- | methyl-beta-methylene-3-cyclohexene-1-ethanol acetate |
| 2-(4- | methylcyclohex-3-en-1-yl)prop-2-en-1-yl acetate |