Structure

Itaconic acid

CAS
97-65-4
Catalog Number
ACM-MO-97654
Category
Other Products; Carboxylic Acid Monomers
Molecular Weight
130.1 g/mol
Molecular Formula
C5H6O4

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Specification

Synonyms
Butanedioic acid, 2-methylene-
IUPAC Name
2-Methylidenebutanedioic acid
Canonical SMILES
C=C(CC(=O)O)C(=O)O
InChI
InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
InChI Key
LVHBHZANLOWSRM-UHFFFAOYSA-N
Boiling Point
158-160 °C at 12 Torr
Melting Point
162-164 °C (dec.)
Flash Point
268 °C
Density
1.573 g/mL at 25 °C(lit.)
Solubility
Soluble in water, acetone, methanol, hexane, ethanol, slightly soluble in benzene, chloroform, carbon disulfide, petroleum ether
Appearance
White to Off-White Solid
Storage
Store at -20 °C under inert atmosphere
Complexity
158
Exact Mass
130.02660867
Hazard Statements
Xi
Monoisotopic Mass
130.02660867
pKa
3.85(at 25 °C)
Refractive Index
1.4980
Safety Description
26-36
Specific Gravity
1.632
Supplemental Hazard Statements
H315-H319-H335
Symbol
GHS07
Topological Polar Surface Area
74.6 Ų
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