EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl 2,4-pentadienoate
2,4-pentadienoic acid, methyl ester

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Name:methyl penta-2,4-dienoate
CAS Number: 1515-75-9Picture of molecule3D/inchi
FDA UNII: Search
Beilstein Number:1743332
MDL:MFCD00042847
XlogP3-AA:1.40 (est)
Molecular Weight:112.12816000
Formula:C6 H8 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1,3-BUTADIENE-1-CARBOXYLIC ACID METHYL ESTER ≥96%
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 2,4-pentadienoate ≥96%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Methyl 2,4-pentadienoate mixture of cis and trans, ≥97.0% (GC)
sds
 
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:
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.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :73688
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl penta-2,4-dienoate
Chemidplus:0001515759
 
References:
 methyl penta-2,4-dienoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):73688
Pubchem (sid):135031467
 
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):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 methyl penta-2,4-dienoate
2,4-pentadienoic acid, methyl ester
 

Articles:

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.
 
Notes:
None found
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