| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 13481-87-3 |
| ECHA EC Number: | 236-786-9 |
| FDA UNII: | 2M3M6634B7 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | methyl 3-nonenoate |
| InChI : | InChI=1/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3 |
| Std.InChI: | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3 |
| InChIKey : | MTDCXFZGUVZRSQ-UHFFFAOYAJ |
| Std.InChIKey: | MTDCXFZGUVZRSQ-UHFFFAOYSA-N |
| SMILES : | CCCCCC=CCC(=O)OC |
| MDL: | MFCD00065419 |
| Molar Refractivity : | 50.21 ± 0.3 cm3 (est) |
| Parachor : | 441.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.439 ± 0.02 (est) |
| Surface Tension : | 28.8 ± 3.0 dyne/cm (est) |
| Density : | 0.892 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.90 ± 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: | 340 methyl 3-nonenoate |
| DG SANTE Food Flavourings: | 09.298 methyl non-3-enoate |
| FEMA Number: | 3710 methyl 3-nonenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 13481-87-3 ; METHYL 3-NONENOATE |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 96.00 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88700 to 0.89300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.381 to 7.431 |
| Refractive Index: | 1.43200 to 1.43900 @ 20.00 °C. |
| Boiling Point: | 90.00 °C. @ 18.00 mm Hg |
| Boiling Point: | 115.00 °C. @ 0.10 mm Hg |
| Vapor Pressure: | 0.171000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 191.00 °F. TCC ( 88.33 °C. ) |
| logP (o/w): | 3.385 (est) |
| Soluble in: | |
| alcohol | |
| water, 52.1 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Advanced Biotech |
| METHYL 3 NONENOATE SYNTHETIC |
| Bedoukian Research |
| METHYL 3-NONENOATE (HIGH TRANS), NO ANTIOXIDANT Odor: A fruity, green, pear-like aroma Use: An intense fresh, fruity, green odor with cucumber undrtones. Useful in violet and narcissus formulations. Imparts a flower shop effect. Flavor: Sweet, fresh apple, melon notes Melon, apple, and other fruit flavors, including tropical varieties. |
| Bedoukian Research |
| METHYL 3-NONENOATE (HIGH TRANS) ≥97.0%, Kosher Odor: A fruity, green, pear-like aroma Use: An intense fresh, fruity, green odor with cucumber undrtones. Useful in violet and narcissus formulations. Imparts a flower shop effect. Flavor: Sweet, fresh apple, melon notes Melon, apple, and other fruit flavors including tropical varieties. |
| Bedoukian Research |
| METHYL 3-NONENOATE (MIN 98.5% TRANS) Odor: A fruity, green, waxy pear-like aroma with wine and brandy notes on dry-down Use: An intense fresh, fruity, green odor with cucumber undrtones. Useful in violet and narcissus formulations. Imparts a flower shop effect. Flavor: fruity Excellent in red fruit applications, especially strawberry. Also useful in other fruit flavors such as melon, apple, pear and tropical varieties. |
| BOC Sciences |
| For experimental / research use only. |
| METHYL 3-NONENOATE (HIGH TRANS) 98.0% (sum of isomers) |
| Grau Aromatics |
| METHYL-3-NONENOATE (90+% trans) NI, Kosher |
| Inoue Perfumery |
| METHYL 3-NONENOATE |
| Kingchem Laboratories |
| METHYL T3 NONENOATE Odor: Sweet, fruity |
| M&U International |
| METHYL 3 NONENOATE |
| Nagar Haveli Perfumes & Aromatics |
| Methyl-3-Nonenoate Odor: fruity green watermelon pear |
| Penta International |
| METHYL-3-NONENOATE |
| Reincke & Fichtner |
| Methyl-3-nonenoate |
| Sigma-Aldrich |
| Methyl 3-nonenoate, ≥96%, FG Odor: melon |
| Certified Food Grade Products |
| SRS Aromatics |
| METHYL-3-NONENOATE |
| Synerzine |
| Methyl 3-nonenoate |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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 | |||
| Recommendation for methyl 3-nonenoate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.60 (μg/capita/day) | ||
| 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 15.00000 | |
| beverages(nonalcoholic): | - | 2.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 25.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 15.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | 5.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 15.00000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 View page or View pdf |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):13481-87-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61631 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| methyl non-3-enoate |
| Chemidplus:0013481873 |
| methyl non-3-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 13481-87-3 |
| Pubchem (cid): | 61631 |
| Pubchem (sid): | 135017182 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB29859 |
| FooDB: | FDB001081 |
| Export Tariff Code: | 2916.19.6000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| methyl 3 nonenoate | |
| methyl 3-nonenoate (high trans) | |
| methyl non-3-enoate | |
| methyl T3 nonenoate | |
| methyl-3-nonenoate | |
| 3- | nonenoic acid, methyl ester |
