| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 37674-63-8 |
| ECHA EC Number: | 253-610-6 |
| FDA UNII: | 7N2Z33Q5NJ |
| CoE Number: | 10147 |
| Category: | flavor and fragrance agents |
| IUPAC Name: | 2-methyl-3-pentenoic acid |
| InChI : | InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8) |
| Std.InChI: | InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8) |
| InChIKey : | NFRJJFMXYKSRPK-UHFFFAOYAE |
| Std.InChIKey: | NFRJJFMXYKSRPK-UHFFFAOYSA-N |
| SMILES : | CC(C=CC)C(O)=O |
| Molar Refractivity : | 31.42 ± 0.3 cm3 (est) |
| Parachor : | 277.2 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.453 ± 0.02 (est) |
| Surface Tension : | 32.4 ± 3.0 dyne/cm (est) |
| Density : | 0.982 ± 0.06 g/cm3 (est) |
| Polarizability : | 12.45 ± 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: | 347 2-methyl-3-pentenoic acid |
| DG SANTE Food Flavourings: | 08.058 2-methylpent-3-enoic acid |
| FEMA Number: | 3464 2-methyl-3-pentenoic acid |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 37674-63-8 ; 2-METHYL-3-PENTENOIC ACID |
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 |
| Additional Assay Information: | as 60/40 mix of Z/E isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96000 to 0.96600 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.988 to 8.038 |
| Refractive Index: | 1.43000 to 1.43700 @ 20.00 °C. |
| Boiling Point: | 199.00 to 200.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 85.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 0.139000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 202.00 °F. TCC ( 94.44 °C. ) |
| logP (o/w): | 1.413 (est) |
| Shelf Life: | 12.00 month(s) or longer if stored properly. |
| Storage: | store under nitrogen. |
| Storage: | refrigerate in tightly sealed containers. store under nitrogen. |
| Soluble in: | |
| alcohol | |
| water, very slightly | |
| water, 8168 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| 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 | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.20 (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: 9 | |||
| Click here to view publication 9 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 10.00000 | |
| beverages(nonalcoholic): | - | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 10.00000 | |
| cheese: | - | - | |
| chewing gum: | - | 10.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 10.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 10.00000 | |
| fruit ices: | - | 10.00000 | |
| gelatins / puddings: | - | 10.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | - | - | |
| 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):37674-63-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61969 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-methylpent-3-enoic acid |
| Chemidplus:0037674638 |
| 2-methylpent-3-enoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 37674-63-8 |
| Pubchem (cid): | 61969 |
| Pubchem (sid): | 135019371 |
| (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): | HMDB31562 |
| FooDB: | FDB008177 |
| ChemSpider: | View |
| For Odor |
| camphoreous |
| butyrophenone FL/FR |
| chocolate |
2- methoxy-3-methyl pyrazineFL/FR |
2,4,5- trimethyl thiazoleFL/FR |
| cocoa |
2-iso butyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR |
| fruity |
| nonyl isovalerate FL/FR |
| musty |
| hazelnut pyrazine FL/FR |
| nutty |
2- acetyl-3,5-dimethyl pyrazineFL/FR |
2- acetyl-3,5(or 6)-dimethyl pyrazineFL/FR |
2- methyl-3-ethoxypyrazineFL/FR |
| popcorn |
2- acetyl pyrazineFL/FR |
2- acetyl thiazoleFL/FR |
| sulfurous |
2- acetyl thiopheneFL/FR |
| For Flavor |
| No flavor group found for these |
2-iso butyl-3,5-(and 3,6)-dimethyl pyrazineFL/FR |
| butyrophenone FL/FR |
4,5- dimethyl-2-ethyl thiazoleFL |
2- methyl-3-ethoxypyrazineFL/FR |
| nonyl isovalerate FL/FR |
| alliaceous |
| alliaceous |
3- mercapto-2-pentanoneFL |
| bitter |
| methyl ethoxypyrazine FL |
| corn chip |
2- acetyl thiazoleFL/FR |
| musty |
| hazelnut pyrazine FL/FR |
| nutty |
2- acetyl-3,5-dimethyl pyrazineFL/FR |
2- acetyl-3,5(or 6)-dimethyl pyrazineFL/FR |
2,5- diethyl-3-methyl pyrazineFL |
european hazelnut oleoresinFL |
2- methoxy-3-methyl pyrazineFL/FR |
2,4,5- trimethyl thiazoleFL/FR |
| onion |
2- acetyl thiopheneFL/FR |
| roasted |
2- acetyl pyrazineFL/FR |
| not found in nature |
| iso | fragarone (IFF) |
| iso | fragarone-030 (IFF) |
| 2- | methyl pent-3-en-1-oic acid |
| 2- | methyl pent-3-enoic acid |
| 2- | methyl-3-pentenoic acid |
| 2- | methyl-3-pentenoic acid 1% in ethanol |
| 2- | methylpent-3-en-1-oic acid |
| 2- | methylpent-3-enoic acid |
| 3- | pentenoic acid, 2-methyl- |
