| CAS Number: | 66634-97-7 | 3D/inchi
|
| FDA UNII: | YSD821326P |
| Nikkaji Web: | J761.177C |
| MDL: | MFCD00209505 |
| CoE Number: | 744 |
| XlogP3-AA: | 1.70 (est) |
| Molecular Weight: | 128.17104000 |
| Formula: | C7 H12 O2 |
| NMR Predictor: | Predict (works with chrome or firefox) |
| EFSA/JECFA Comments: | Registername to be changed to (2E)-4-Dimethylpent-2-enoic acid.
According to JECFA: Min. assay value is "92 (sum of isomers)" and secondary components "4-methyl-2-methylenevaleric acid". |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 133.00 to 134.00 °C. @ 15.00 mm Hg
|
| Vapor Pressure: | 0.052000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 254.00 °F. TCC ( 123.33 °C. )
|
| logP (o/w): | 1.940 (est) |
| Soluble in: |
| | alcohol | | | water, very slightly | | | water, 2471 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| |
| Odor Type: acidic |
| |
| | acidic fruity cheesy honey |
Odor Description: at 1.00 % in dipropylene glycol. | acidic fruity cheese honey |
| |
| | tart acidic fruity sweaty cheesy honey floral animal |
Odor Description:
| Tangy, acidic, fruity, sweaty and cheesy with honey and floral nuances, and an animal undernote Mosciano, Gerard P&F 21, No. 3, 51, (1996) |
| |
| |
| Flavor Type: sour |
| |
| | tart acidic cheesy ripe fruity animal |
Taste Description: at 25.00 ppm. | Tangy, acidic and cheesy with ripe, fruity and animal nuances Mosciano, Gerard P&F 21, No. 3, 51, (1996) |
| |
| Odor and/or flavor descriptions from others (if found). |
| |
| |
Cosmetic Information:
Suppliers:
| Augustus Oils |
| 2,4 Dimethyl 2 Pentenoic Acid
|
| Services |
| BOC Sciences |
| For experimental / research use only. |
| 2,4-Dimethyl-2-pentenoic Acid
|
| Parchem |
| 2,4-dimethyl-2-pentenoic acid
|
| Penta International |
| 2,4-DIMETHYL-2-PENTENOIC ACID
|
| R C Treatt & Co Ltd |
| 2,4-Dimethyl-2-pentenoic acid
Halal, Kosher Odor: sour cheese, cream cheese Flavor: cheese Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages. |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2,4-Dimethyl-2-pentenoic Acid
|
| Synerzine |
| 2,4-Dimethyl-2-Pentenoic Acid
|
| Synerzine |
| 2,4-DIMETHYL-2-PENTENOIC ACID
|
Safety Information:
| Preferred SDS: View |
| |
| 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 2,4-dimethyl-2-pentenoic acid usage levels up to: | | | not for fragrance use.
|
| |
| 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: 4 |
| Click here to view publication 4 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 1.50000 |
| beverages(nonalcoholic): | - | - |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | - | - |
| hard candy: | - | 1.00000 |
| 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: | - | - |
| soups: | - | - |
| sugar substitutes: | - | - |
| sweet sauces: | - | - |
Safety References:
References:
Other Information:
Potential Blenders and core components note
| |
| For Odor |
| acidic |
| iso | butyric acid | FL/FR |
| | cyclohexyl acetic acid | FL/FR |
| 2- | ethyl butyric acid | FL/FR |
| 2- | methyl butyric acid | FL/FR |
| 2- | methyl-2-pentenoic acid | FL/FR |
| balsamic |
| 3- | phenyl propyl alcohol | FL/FR |
| buttery |
| | acetyl propionyl | FL/FR |
| | butyl butyryl lactate | FL/FR |
| 2,3- | heptane dione | FL/FR |
| cheesy |
| | butyric acid | FL/FR |
| | heptanoic acid | FL/FR |
| 2- | methyl hexanoic acid | FL/FR |
| S-( | methyl thio) butyrate | FL/FR |
| 2- | methyl valeric acid | FL/FR |
| 2- | methyl-2-hexenoic acid | FR |
| | valeric acid | FL/FR |
| iso | valeric acid | FL/FR |
| chocolate |
| iso | butyl phenyl acetate | FL/FR |
| | cocoa pentenal | FL/FR |
| | tetrahydrofurfuryl phenyl acetate | FL/FR |
| | hexanoic acid | FL/FR |
| | decyl formate | FR |
| | ethyl phenyl acetate | FL/FR |
| | hyacinth acetals | FL/FR |
| | neryl isovalerate | FL/FR |
| | phenethyl benzoate | FL/FR |
| | phenethyl hexanoate | FL/FR |
| | phenethyl phenyl acetate | FL/FR |
| 3- | phenyl propyl formate | FL/FR |
| iso | propyl anthranilate | FL/FR |
| iso | propyl phenyl acetate | FL/FR |
| | rhodinyl phenyl acetate | FL/FR |
| fruity |
| | allyl cyclohexyl acetate | FL/FR |
| | butyl isovalerate | FL/FR |
| | cyclohexyl carboxylic acid | FL/FR |
| | ethyl lactate | FL/FR |
| | filbert hexenone | FL/FR |
| 4- | heptanone | FL/FR |
| | methyl 4-methyl valerate | FL/FR |
| 2- | methyl butyl isovalerate | FL/FR |
| | methyl valerate | FL/FR |
| 3- | phenyl propyl isobutyrate | FL/FR |
| | prenyl acetate | FL/FR |
| | prenyl hexanoate | FL/FR |
| | propyl butyrate | FL/FR |
| | propyl isobutyrate | FL/FR |
| | sorbyl butyrate | FL/FR |
| | strawberry glycidate 1 (aldehyde C-16 (so-called)) | FL/FR |
| | strawberry glycidate 2 | FL/FR |
| | hexanal (aldehyde C-6) | FL/FR |
| (E)-2- | hexenal | FL/FR |
| 3- | hexenyl isovalerate | FL/FR |
| 4- | methyl-4-phenyl pentanone | FR |
| | phenoxyethyl isobutyrate | FL/FR |
| honey |
| | methyl phenyl acetate | FL/FR |
| | phenyl acetic acid | FL/FR |
| | propyl phenyl acetate | FL/FR |
| medicinal |
| meta- | dimethyl hydroquinone | FL/FR |
| minty |
| | carvyl acetate | FL/FR |
| musty |
| | cocoa butenal | FL/FR |
| nutty |
| | nutty quinoxaline | FL/FR |
| spicy |
| | cumin seed oil | FL/FR |
| iso | eugenyl phenyl acetate | FL/FR |
| (±)-1,2,5,6- | tetrahydrocuminic acid | FL/FR |
| (E)- | tiglic acid | FL/FR |
| waxy |
| iso | amyl laurate | FL/FR |
| 2- | methyl heptanoic acid | FL/FR |
| | nonanoic acid | FL/FR |
| 2- | nonanol | FL/FR |
| | undecanoic acid | FL/FR |
| woody |
| | santalyl phenyl acetate | FL/FR |
| |
| For Flavor |
| |
| No flavor group found for these |
| 1- | acetyl cyclohexyl acetate | FL |
| | ethyl cyclohexyl carboxylate | FL |
| (E,E)-2,4- | heptadien-1-ol | FL |
| (Z)-3- | hexenoic acid | FL |
| 3- | mercapto-3-methyl butyl formate | FL |
| 5- | methyl hexanoic acid | FL |
| 4- | methyl valeric acid | FL |
| 3- | phenyl propyl formate | FL/FR |
| | prenyl hexanoate | FL/FR |
| iso | propyl anthranilate | FL/FR |
| | santalyl phenyl acetate | FL/FR |
| (±)-1,2,5,6- | tetrahydrocuminic acid | FL/FR |
| | tetrahydrofurfuryl phenyl acetate | FL/FR |
| acidic |
| iso | butyric acid | FL/FR |
| 2- | ethyl butyric acid | FL/FR |
| (E)-2- | hexenoic acid | FL |
| | valeric acid | FL/FR |
| aromatic |
| | hyacinth acetals | FL/FR |
| brown |
| (E)- | tiglic acid | FL/FR |
| buttery |
| 2,3- | heptane dione | FL/FR |
| 2- | methyl valeric acid | FL/FR |
| (E)-2- | pentenoic acid | FL |
| cheesy |
| | hexanoic acid | FL/FR |
| iso | valeric acid | FL/FR |
| chemical |
| meta- | dimethyl hydroquinone | FL/FR |
| cocoa |
| iso | butyl phenyl acetate | FL/FR |
| creamy |
| | acetoin butyrate | FL |
| | butyl butyryl lactate | FL/FR |
| 2- | methyl-4-pentenoic acid | FL |
| dairy |
| 4- | pentenoic acid | FL |
| fatty |
| iso | amyl laurate | FL/FR |
| | nonanoic acid | FL/FR |
| (E)-2- | octenoic acid | FL |
| fermented |
| | methyl thio isovalerate | FL |
| fishy |
| | trimethyl amine | FL |
| floral |
| | cocoa pentenal | FL/FR |
| | methyl phenyl acetate | FL/FR |
| | phenethyl benzoate | FL/FR |
| | phenyl acetic acid | FL/FR |
| fruity |
| | allyl cyclohexyl acetate | FL/FR |
| | apricot flavor | FL |
| | butyl isovalerate | FL/FR |
| | cyclohexyl carboxylic acid | FL/FR |
| | ethyl 3-oxohexanoate | FL |
| | ethyl lactate | FL/FR |
| | filbert hexenone | FL/FR |
| | fruit enhancers | FL |
| 4- | heptanone | FL/FR |
| | methyl 4-methyl valerate | FL/FR |
| | methyl 4-phenyl butyrate | FL |
| 2- | methyl butyl isovalerate | FL/FR |
| 2- | methyl butyric acid | FL/FR |
| | methyl valerate | FL/FR |
| | neryl isovalerate | FL/FR |
| 3- | phenyl propyl isobutyrate | FL/FR |
| | prenyl acetate | FL/FR |
| | propyl butyrate | FL/FR |
| | propyl isobutyrate | FL/FR |
| | sorbyl butyrate | FL/FR |
| | strawberry glycidate 1 (aldehyde C-16 (so-called)) | FL/FR |
| | strawberry glycidate 2 | FL/FR |
| green |
| | cocoa butenal | FL/FR |
| | hexanal (aldehyde C-6) | FL/FR |
| (E)-2- | hexenal | FL/FR |
| 3- | hexenyl isovalerate | FL/FR |
| | phenoxyethyl isobutyrate | FL/FR |
| honey |
| | ethyl phenyl acetate | FL/FR |
| | phenethyl phenyl acetate | FL/FR |
| | propyl phenyl acetate | FL/FR |
| iso | propyl phenyl acetate | FL/FR |
| meaty |
| 2- | methyl 3-(methyl thio) furan | FL |
| 12- | methyl tridecanal | FL |
| minty |
| | carvyl acetate | FL/FR |
| musty |
| S-( | methyl thio) butyrate | FL/FR |
| nutty |
| | nutty quinoxaline | FL/FR |
| oily |
| 2- | methyl hexanoic acid | FL/FR |
| sour |
| | acetic acid | FL |
| | araza flavor | FL |
| | butyric acid | FL/FR |
| 3- | methyl valeric acid | FL |
| 2- | methyl-2-pentenoic acid | FL/FR |
| spicy |
| | cumin seed oil | FL/FR |
| iso | eugenyl phenyl acetate | FL/FR |
| 3- | phenyl propyl alcohol | FL/FR |
| sulfurous |
| | methyl 4-(methyl thio) butyrate | FL |
| sweet |
| | cyclohexyl acetic acid | FL/FR |
| toasted |
| | acetyl propionyl | FL/FR |
| waxy |
| | heptanoic acid | FL/FR |
| 2- | methyl heptanoic acid | FL/FR |
| 2- | nonanol | FL/FR |
| | phenethyl hexanoate | FL/FR |
| | rhodinyl phenyl acetate | FL/FR |
| | undecanoic acid | FL/FR |
| |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (E+Z)-2,4- | dimethyl pent-2-enoic acid | | 2,4- | dimethyl pent-2-enoic acid | | 2,4- | dimethylpent-2-enoic acid | | 2- | pentenoic acid, 2,4-dimethyl- |
Articles:
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