4023-65-8

Name TRANS-ACONITIC ACID
CAS 4023-65-8
EINECS(EC#) 223-688-6
Molecular Formula C6H6O6
MDL Number MFCD00002721
Molecular Weight 174.11
MOL File 4023-65-8.mol
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Chemical Properties

Appearance WHITE TO OFF-WHITE CRYSTALLINE POWDER
Melting point  190 °C (dec.)(lit.)
Boiling point  225.05°C (rough estimate)
density  0.56 g/cm3 (20℃)
FEMA  2010 | ACONITIC ACID
refractive index  1.5860 (estimate)
storage temp.  Store below +30°C.
solubility  400g/l
form  Solid
pka 2.8(at 25℃)
color  White to Off-White
Odor at 100.00 %. vegetable musty nut dry toasted
PH 3.14(1 mM solution);2.48(10 mM solution);1.92(100 mM solution)
Odor Type vegetable
Water Solubility  Soluble in water at 20°C 400g/L. Slightly soluble in ether.
BRN  1725830
InChI 1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChIKey GTZCVFVGUGFEME-HNQUOIGGSA-N
SMILES OC(=O)C\C(=C/C(O)=O)C(O)=O
LogP -0.14
CAS DataBase Reference 4023-65-8(CAS DataBase Reference)
EPA Substance Registry System 1-Propene-1,2,3-tricarboxylic acid, (1E)- (4023-65-8)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  UD2380000
TSCA  Yes
HS Code  2917.19.7050
Storage Class 11 - Combustible Solids

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