498-23-7

Name Citraconic acid
CAS 498-23-7
EINECS(EC#) 207-858-7
Molecular Formula C5H6O4
MDL Number MFCD00078086
Molecular Weight 130.1
MOL File 498-23-7.mol

Chemical Properties

Appearance white to light beige crystalline powder
Melting point  88-94 °C (lit.)
Boiling point  160.75°C (rough estimate)
density  1,62 g/cm3
refractive index  1.4502 (estimate)
storage temp.  Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility  DMSO (Sparingly, Sonicated), Water (Slightly)
form  Crystalline Powder
pka pK1:2.29(0);pK2:6.15(+1) (25°C)
color  White to light beige
Water Solubility  FREELY SOLUBLE
Sensitive  Hygroscopic
Merck  14,2321
BRN  1722679
Henry's Law Constant 3.6×107 mol/(m3Pa) at 25℃, Yaws (2003)
Stability: Hygroscopic
InChI 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKey HNEGQIOMVPPMNR-IHWYPQMZSA-N
SMILES C\C(=C\C(O)=O)C(O)=O
CAS DataBase Reference 498-23-7(CAS DataBase Reference)
NIST Chemistry Reference 2-Butenedioic acid, 2-methyl-, (Z)-(498-23-7)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H301-H302
Precautionary statements  P264-P270-P301+P312+P330-P501-P301+P310a-P321-P405-P501a
Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  2811
WGK Germany  3
RTECS  GE6650000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29171900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity
LD50 in rats, mice (mg/kg): 1320, 2260 orally (Jenner)

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier