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

mesaconic acid
2-butenedioic acid, 2-methyl-, (E)- (9CI)

Supplier Sponsors

CAS Number: 498-24-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:207-859-2
FDA UNII: 90UTM639KK
Nikkaji Web:J6.107G
Beilstein Number:1722680
MDL:MFCD00002653
XlogP3-AA:-0.10 (est)
Molecular Weight:130.09962000
Formula:C5 H6 O4
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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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
Melting Point: 204.50 °C. @ 760.00 mm Hg
Boiling Point: 336.60 °C. @ 760.00 mm Hg (est)
Flash Point: 341.00 °F. TCC ( 171.50 °C. ) (est)
logP (o/w): 0.540 (est)
Soluble in:
 water, 2.63E+04 mg/L @ 18C (exp)
 water, 6.99e+004 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.
mesaconic acid 99%
Sigma-Aldrich: Aldrich
For experimental / research use only.
Mesaconic Acid 99%
sds
TCI AMERICA
For experimental / research use only.
Mesaconic Acid >98.0%(GC)(T)
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:
intraperitoneal-mouse LDLo 500 mg/kg
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 147, 1954.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for mesaconic acid usage levels up to:
 not for fragrance use.
 
Recommendation for mesaconic acid flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):498-24-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :638129
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
(E)-2-methylbut-2-enedioic acid
Chemidplus:0000498248
RTECS:OX5075000 for cas# 498-24-8
 
References:
 (E)-2-methylbut-2-enedioic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):638129
Pubchem (sid):134977594
 
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
CHEBI:View
Golm Metabolome Database:Search
Metabolomics Database:Search
KEGG (GenomeNet):C01732
HMDB (The Human Metabolome Database):HMDB00749
FooDB:FDB022221
Export Tariff Code:2917.19.7050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 found in nature
 
Synonyms:
2-butenedioic acid, 2-methyl-, (2E)-
2-butenedioic acid, 2-methyl-, (E)- (9CI)
 butenedioic acid, methyl-, (E)-
 fumaric acid, methyl-
 kyselina mesakonova
trans-2-methyl-2-butenedioic acid
(E)-2-methylbut-2-enedioic acid
 methylfumaric acid
2-methylfumaric acid
trans-1-propene-1,2-dicarboxylic acid
 

Articles:

PubMed:Terahertz time-domain spectroscopy and the quantitative monitoring of mechanochemical cocrystal formation.
PubMed:Studies on the coupling product between oxidation products derived from pentachlorophenol and cyclodextrins.
PubMed:Plausible molecular mechanism for activation by fumarate and electron transfer of the dopamine beta-mono-oxygenase reaction.
PubMed:Insights into enzyme evolution revealed by the structure of methylaspartate ammonia lyase.
PubMed:The structure of 3-methylaspartase from Clostridium tetanomorphum functions via the common enolase chemical step.
PubMed:Crystallization and preliminary X-ray analysis of Citrobacter amalonaticus methylaspartate ammonia lyase.
PubMed:Overexpression, purification, crystallization and data collection of 3-methylaspartase from Clostridium tetanomorphum.
PubMed:Synthesis and polymerization of benzyl (3R,4R)-3-methylmalolactonate via enzymatic preparation of the chiral precursor.
PubMed:3-Methylaspartate ammonia-lyase from a facultative anaerobe, strain YG-1002.
PubMed:Purification and properties of crystalline 3-methylaspartase from two facultative anaerobes, Citrobacter sp. strain YG-0504 and Morganella morganii strain YG-0601.
PubMed:Purification and properties of a novel cytochrome: flavocytochrome c from Shewanella putrefaciens.
PubMed:Crystalline 3-methylaspartase from a facultative anaerobe, Escherichia coli strain YG1002.
PubMed:Cloning, sequencing, and expression in Escherichia coli of the Clostridium tetanomorphum gene encoding beta-methylaspartase and characterization of the recombinant protein.
PubMed:Mechanism of C-3 hydrogen exchange and the elimination of ammonia in the 3-methylaspartate ammonia-lyase reaction.
PubMed:Primary deuterium isotope effects for the 3-methylaspartase-catalyzed deamination of (2S)-aspartic acid, (2S,3S)-3-methylaspartic acid, and (2S,3S)-3-ethylaspartic acid.
PubMed:Reaction of argininosuccinase with bromomesaconic acid: role of an essential lysine in the active site.
PubMed:Changing plasma and urinary organic acid levels in a patient with isovaleric acidemia during an attack.
PubMed:New metabolites in isovaleric acidemia.
PubMed:Gas chromatography-mass spectrometry of saturated and unsaturated dicarboxylic acids in urine.
PubMed:Deamination of glumatic and aspartic acids by Geotrichum candidum.
PubMed:The reaction of 1-vinylnaphthalene and 6-methoxy-1-vinylnaphthalene with citraconic anhydride, fumaric acid and mesaconic acid.
PubMed:The reaction of anthracene with maleic and fumaric acid and their derivatives and with citraconic anhydride and mesaconic acid.
PubMed:Note on the isolation of mesaconic acid from cabbage leaves.
 
Notes:
Mesaconic acid is one of several isomeric carboxylic acids obtained from citric acid. Is used as a fire retardant, recent studies revealed this acid is a competitive inhibitor of fumarate reduction. [HMDB]
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