CAS Number: | 66634-97-7 | 3D/inchi
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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
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Food Chemicals Codex Listed: | No |
Boiling Point: | 133.00 to 134.00 °C. @ 15.00 mm Hg
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Vapor Pressure: | 0.052000 mmHg @ 25.00 °C. (est) |
Flash Point: | 254.00 °F. TCC ( 123.33 °C. )
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logP (o/w): | 1.940 (est) |
Soluble in: |
| alcohol | | water, very slightly | | water, 2471 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: acidic |
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| acidic fruity cheesy honey |
Odor Description: at 1.00 % in dipropylene glycol. | acidic fruity cheese honey |
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| 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) |
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Flavor Type: sour |
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| 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) |
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Odor and/or flavor descriptions from others (if found). |
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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
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Parchem |
2,4-dimethyl-2-pentenoic acid
|
Penta International |
2,4-DIMETHYL-2-PENTENOIC ACID
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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
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Safety Information:
Preferred SDS: View |
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
Not determined
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavoring agents |
Recommendation for 2,4-dimethyl-2-pentenoic acid usage levels up to: | | not for fragrance use.
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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 |
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For Flavor |
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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 |
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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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