| Name: | (2E)-2,4-dimethylpent-2-enoic acid |
| CAS Number: | 3876-52-6 |  3D/inchi
|
| FDA UNII: | KI18C46DHR |
| Nikkaji Web: | J1.331.269I |
| CoE Number: | 744 |
| XlogP3-AA: | 1.70 (est) |
| Molecular Weight: | 128.17104000 |
| Formula: | C7 H12 O2 |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| Also(can) Contains: | 4-methyl-2-methylene valeric acid |
| 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".
(E)-isomer (92 %), other const. 4-methyl-2-methylenevaleric acid (EFFA, 2010). Register name to be changed to (2E),4-Dimethylpent-2-enoic acid. According to JECFA: Min. Assay value ”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 to pale yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 sum of isomers
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99100 to 0.99900 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 8.246 to 8.313
|
| Refractive Index: | 1.45900 to 1.46700 @ 20.00 °C.
|
| Boiling Point: | 217.00 to 218.00 °C. @ 760.00 mm Hg (est)
|
| Boiling Point: | 133.00 to 134.00 °C. @ 15.00 mm Hg
|
| Vapor Pressure: | 0.052000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 255.00 °F. TCC ( 123.70 °C. ) (est)
|
| logP (o/w): | 2.233 (est) |
| Soluble in: |
| | water, 2471 mg/L @ 25 °C (est) |
Organoleptic Properties:
| Odor Type: sour |
| sour cheesy creamy |
| Odor Description:Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.sour cheese cream cheese |
| Flavor Type: cheesy |
| cheesy creamy |
| Taste Description: cheesy creamy |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| 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 (E)-2,4-dimethyl-2-pentenoic acid usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (μg/capita/day) |
| Threshold of Concern: | 1800 (μg/person/day) |
| Structure Class: | I |
Safety References:
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):
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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 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
View page or View pdf
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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
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Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):3876-52-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5362565 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (2E)-2,4-dimethylpent-2-enoic acid |
| Chemidplus:0003876526 |
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 |
| 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 |
valeric acid
FL/FR |
iso valeric acid
FL/FR |
| chocolate |
cocoa pentenal
FL/FR |
| fatty |
hexanoic acid
FL/FR |
| floral |
ethyl phenyl acetate
FL/FR |
hyacinth acetals
FL/FR |
neryl isovalerate
FL/FR |
phenethyl benzoate
FL/FR |
phenethyl hexanoate
FL/FR |
3- phenyl propyl formate
FL/FR |
iso propyl phenyl acetate
FL/FR |
rhodinyl phenyl acetate
FL/FR |
| fruity |
cyclohexyl carboxylic acid
FL/FR |
filbert hexenone
FL/FR |
4- heptanone
FL/FR |
methyl 4-methyl valerate
FL/FR |
2- methyl butyl isovalerate
FL/FR |
prenyl hexanoate
FL/FR |
propyl butyrate
FL/FR |
sorbyl butyrate
FL/FR |
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR |
strawberry glycidate 2
FL/FR |
2- undecanone
FL/FR |
| green |
3- heptanone
FL/FR |
hexanal (aldehyde C-6)
FL/FR |
(E)-2- hexenal
FL/FR |
| honey |
methyl phenyl acetate
FL/FR |
phenyl acetic acid
FL/FR |
propyl phenyl acetate
FL/FR |
| medicinal |
meta- dimethyl hydroquinone
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 |
| sulfurous |
methyl mercaptan
FL/FR |
| waxy |
iso amyl decanoate
FL/FR |
9- decenoic acid
FL/FR |
2- methyl heptanoic acid
FL/FR |
myristic 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 |
santalyl phenyl acetate
FL/FR |
(±)-1,2,5,6- tetrahydrocuminic acid
FL/FR |
| acidic |
| acidic |
iso butyric acid
FL/FR |
2- ethyl butyric acid
FL/FR |
valeric acid
FL/FR |
| aromatic |
hyacinth acetals
FL/FR |
| buttery |
2,3- heptane dione
FL/FR |
2- methyl valeric acid
FL/FR |
(E)-2- pentenoic acid
FL |
| cheesy |
cheese flavor
FL |
hexanoic acid
FL/FR |
iso valeric acid
FL/FR |
| chemical |
meta- dimethyl hydroquinone
FL/FR |
| creamy |
acetoin butyrate
FL |
butyl butyryl lactate
FL/FR |
cream cheese flavor
FL |
2- methyl-4-pentenoic acid
FL |
| dairy |
dairy flavor
FL |
4- pentenoic acid
FL |
| fatty |
nonanoic acid
FL/FR |
(E)-2- octenoic acid
FL |
| fermented |
methyl thio isovalerate
FL |
| floral |
cocoa pentenal
FL/FR |
methyl phenyl acetate
FL/FR |
phenethyl benzoate
FL/FR |
phenyl acetic acid
FL/FR |
| fruity |
cyclohexyl carboxylic acid
FL/FR |
ethyl 3-oxohexanoate
FL |
filbert hexenone
FL/FR |
4- heptanone
FL/FR |
methyl 4-methyl valerate
FL/FR |
2- methyl butyl isovalerate
FL/FR |
2- methyl butyric acid
FL/FR |
neryl isovalerate
FL/FR |
propyl butyrate
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 |
| honey |
ethyl phenyl acetate
FL/FR |
propyl phenyl acetate
FL/FR |
iso propyl phenyl acetate
FL/FR |
| ketonic |
3- heptanone
FL/FR |
| meaty |
2- methyl 3-(methyl thio) furan
FL |
12- methyl tridecanal
FL |
| musty |
S-( methyl thio) butyrate
FL/FR |
| nutty |
nutty quinoxaline
FL/FR |
| oily |
2- methyl hexanoic acid
FL/FR |
| sour |
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 |
| sulfurous |
methyl 4-(methyl thio) butyrate
FL |
methyl mercaptan
FL/FR |
| sweet |
cyclohexyl acetic acid
FL/FR |
| toasted |
acetyl propionyl
FL/FR |
| tropical |
S- methyl 4-methyl pentane thioate
FL |
| waxy |
iso amyl decanoate
FL/FR |
9- decenoic acid
FL/FR |
heptanoic acid
FL/FR |
2- methyl heptanoic acid
FL/FR |
myristic acid
FL/FR |
2- nonanol
FL/FR |
phenethyl hexanoate
FL/FR |
rhodinyl phenyl acetate
FL/FR |
undecanoic acid
FL/FR |
2- undecanone
FL/FR |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (E)-2,4- | dimethyl pent-2-enoic acid | | trans-2,4- | dimethyl pent-2-enoic acid | | trans-2,4- | dimethyl-2-pentenoic acid | | (2E)-2,4- | dimethylpent-2-enoic acid | | trans-2,4- | dimethylpent-2-enoic acid |
Articles:
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