methyl 2,4-pentadienoate
2,4-pentadienoic acid, methyl ester
Identification
| Name | methyl 2,4-pentadienoate |
| IUPAC | methyl penta-2,4-dienoate |
| CAS Number | 1515-75-9 |
| FDA UNII | Search |
| Molecular Formula | C6 H8 O2 |
| Molecular Weight | 112.12816000 |
| MDL Number | MFCD00042847 |
| Beilstein | 1743332 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 135.20 °C. @ 760.00 mm Hg (est) |
| Vapor Pressure | 7.800000 mmHg @ 25.00 °C. (est) |
| Flash Point | 116.00 °F. TCC ( 46.40 °C. ) (est) |
| logP (o/w) | 1.340 (est) |
| Soluble in | water, 5658 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for methyl 2,4-pentadienoate usage levels up to | not for fragrance use. |
| Recommendation for methyl 2,4-pentadienoate flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
methyl penta-2,4-dienoate
2,4-
pentadienoic acid, methyl ester
PubMed:
Decay dynamics of α,β-carboxylic methyl esters (CH3OCOCH:CHR) in the lower-lying excited states--resonance Raman and complete active space self-consistent field calculation study.
PubMed:
Strategies for improving the water solubility of new antitumour nitronaphthylbutadiene derivatives.
PubMed:
A histochemical approach to the evaluation of the in vivo cytotoxicity of the nitrobutadienes (1E,3E)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene and methyl (2Z,4E)-2-methylsulfanyl-5-(1-naphthyl)-4-nitro-2,4-pentadienoate in mice liver and kidney.
PubMed:
Sensitivity of different resistant tumour cell lines to the two novel compounds (2Z,4E)-2-methylsulfanyl-5-(1-naphthyl)-4-nitro-2,4-pentadienoate and (1E,3E)-1,4-bis(2-naphthyl)-2,3-dinitro-1,3-butadiene.
PubMed:
Design, synthesis, and in vitro evaluation of new naphthylnitrobutadienes with potential antiproliferative activity: toward a structure/activity correlation.
PubMed:
Naphthylnitrobutadienes as pharmacologically active molecules: evaluation of the in vivo antitumour activity.
PubMed:
Aza-Morita-Baylis-Hillman reactions and cyclizations of conjugated dienes activated by sulfone, ester, and keto groups.
PubMed:
High-performance liquid chromatographic separation of racemic and diastereomeric mixtures of 2,4-pentadienoate-iron tricarbonyl derivatives.
PubMed:
[Antitumor and toxic properties of retinoid C15].
PubMed:
The mitochondrial pyruvate carrier. Kinetics and specificity for substrates and inhibitors.