Mesaconic acid Structure

Mesaconic acid

Chemical Properties

Melting point 200-202 °C(lit.)
Boiling point bp 250° (decompn)
Density  1.466
refractive index  1.4240 (estimate)
storage temp.  2-8°C
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.09(at 25℃)
color  White to Off-White
PH 3.23(1 mM solution);2.61(10 mM solution);2.06(100 mM solution)
Water Solubility  26.3g/L(18 ºC)
Merck  5903
BRN  1722680
InChI 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
InChIKey HNEGQIOMVPPMNR-NSCUHMNNSA-N
SMILES C\C(=C/C(O)=O)C(O)=O
LogP 0.540 (est)
CAS DataBase Reference 498-24-8(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 90UTM639KK
NIST Chemistry Reference 2-Butenedioic acid, 2-methyl-, (E)-(498-24-8)
EPA Substance Registry System 2-Butenedioic acid, 2-methyl-, (2E)- (498-24-8)
UNSPSC Code 12162002
NACRES NA.23
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Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H335-H315-H319
Precautionary statements P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  OX5075000
TSCA  TSCA listed
Storage Class 11 - Combustible Solids

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