| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 4493-42-9 |
| ECHA EC Number: | 224-787-7 |
| FDA UNII: | WX3M6126GD |
| Category: | flavor and fragrance agents |
| IUPAC Name: | methyl (E,Z)-2,4-decadienoate |
| InChI : | InChI=1/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+ |
| Std.InChI: | InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7-,10-9+ |
| InChIKey : | SFHSEXGIVSBRRK-UQGDGPGGBP |
| Std.InChIKey: | SFHSEXGIVSBRRK-UQGDGPGGSA-N |
| SMILES : | CCCCC/C=C\C=C\C(=O)OC |
| Molar Refractivity : | 54.90 ± 0.3 cm3 (est) |
| Parachor : | 468.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.459 ± 0.02 (est) |
| Surface Tension : | 29.7 ± 3.0 dyne/cm (est) |
| Density : | 0.907 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.76 ± 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: | 1191 methyl (E)-2-(Z)-4-decadienoate |
| DG SANTE Food Flavourings: | 09.639 methyl (E,Z)-deca-2,4-dienoate |
| FEMA Number: | 3859 methyl (E)-2-(Z)-4-decadienoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 4493-42-9 ; METHYL(E)-2-(Z)-4-DECADIENOATE |
| Appearance: | colorless clear liquid (est) |
| Assay: | 93.50 to 100.00 sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.91700 to 0.92300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.630 to 7.680 |
| Refractive Index: | 1.48800 to 1.49400 @ 20.00 °C. |
| Boiling Point: | 105.00 °C. @ 2.00 mm Hg |
| Boiling Point: | 246.00 to 247.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.028000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 230.00 °F. TCC ( 110.00 °C. ) |
| logP (o/w): | 3.986 (est) |
| Soluble in: | |
| alcohol | |
| water, 26.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Bedoukian Research |
| METHYL 2,4-DECADIENOATE Odor: A fruity waxy pear-like odor with a slight lemon connotation Use: Used in various fragrance compositions for it\'s mild fruitiness. |
| BOC Sciences |
| For experimental / research use only. |
| 2,4-Decadienoic acid methyl ester |
| Carbosynth |
| For experimental / research use only. |
| Methyl-2-trans-4-cis-decadienoate |
| Jiangyin Healthway |
| Methyl 2E,4Z-Decadienoate |
| New functional food ingredients |
| Parchem |
| methyl (E,Z)-2,4-decadienoate |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| (2E,4Z)-2,4-Decadienoic acid methyl ester |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 (E,Z)-2,4-decadienoate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.097 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 1.00 (μg/capita/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: | 1.00000 | 10.00000 | |
| beverages(nonalcoholic): | 0.20000 | 2.00000 | |
| beverages(alcoholic): | 0.40000 | 4.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 10.00000 | 50.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 1.00000 | 10.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 2.00000 | 20.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 0.40000 | 4.00000 | |
| jams / jellies: | 2.00000 | 20.00000 | |
| meat products: | - | - | |
| milk products: | 1.00000 | 10.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.40000 | 4.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | 2.00000 | 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): |
| Flavouring Group Evaluation 70 (FGE.70): Consideration of aliphatic, alicyclic, linear, alpha,beta-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st meeting) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 70, Revision 1 (FGE.70Rev1): consideration of aliphatic, linear, a,�-unsaturated, di- and trienals and related alcohols, acids and esters evaluated by JECFA (61st-68th-69th meeting) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4493-42-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6436336 |
| National Institute of Allergy and Infectious Diseases:Data |
| methyl (2E,4Z)-deca-2,4-dienoate |
| Chemidplus:0004493429 |
| methyl (2E,4Z)-deca-2,4-dienoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4493-42-9 |
| Pubchem (cid): | 6436336 |
| Pubchem (sid): | 135036227 |
| Pherobase: | View |
| (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): | HMDB34730 |
| FooDB: | FDB013268 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| 2,4- | decadienoic acid, methyl ester, (2E,4Z)- |
| 2,4- | decadienoic acid, methyl ester, (E,Z)- |
| methyl (2E,4Z)-2,4-decadienoate | |
| methyl (2E,4Z)-deca-2,4-dienoate | |
| methyl (E,Z)-deca-2,4-dienoate | |
| methyl (E)-2-(Z)-4-decadienoate | |
| (E,Z)- | methyl 2,4-decadienoate |
| methyl pear decadienoate | |
| methyl trans-2,cis-4-decadienoate |
