Articles:
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(2E)-2,4-dimethylpent-2-enoic acid
Notes:
Flavouring ingredient
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 2,4-Dimethyl-2-pentenoic acid
Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.
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| 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 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:
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| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
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| EU Patents: | Search |
| Pubchem Patents: | Search |
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| NCBI: | Search |
| JECFA Food Flavoring: | 1211 2,4-dimethyl-2-pentenoic acid |
| DG SANTE Food Flavourings: | 08.044 (2E)-2,4-dimethylpent-2-enoic acid |
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:
| None found |
Suppliers:
| R C Treatt & Co Ltd |
| 2,4-Dimethyl-2-pentenoic acid
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. |
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): | |
| 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 | |
| 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 | |
| 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:
| (2E)-2,4-dimethylpent-2-enoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5362565 |
| Pubchem (sid): | 135267816 |
Other Information:
| (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 |
| HMDB (The Human Metabolome Database): | HMDB39819 |
| FooDB: | FDB019470 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| bakery | FL | |
| berry mixed berry | FL | |
| cheese | FL | |
| chocolate | FL | |
| dairy | FL | |
| fruit | FR | |
| tropical | FL |
Occurrence (nature, food, other): note
| found in nature PbMd |
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 |