Isophthalic Acid
Catalog Number
ACM121915
CAS
121-91-5
IUPAC Name
benzene-1,3-dicarboxylic acid
Synonyms
5-CARBOXAMINODOTRYPTAMINE;5-carboxamidotrypamine;5-CAT;m-Phthalic Acid;1,3-Benzenedicarboxylic acid
Application
Isophthalic Acid serves as a versatile component integral to numerous industrial applications. As an aromatic dicarboxylic acid, it plays a crucial role in the production of high-performance unsaturated polyester resins, which are essential for creating durable gel coats. Its properties, such as hardness and resistance to stains and detergents, make it an excellent choice for polyester solid-surface countertops, offering a cost-effective alternative to acrylics. Isophthalic Acid's utility extends to enhancing the properties of resins used in coatings and high solids paints, as well as acting as a modifier in the production of PET bottles. Additionally, it is employed in the manufacture of alkyd and polyester resins, and its derivatives are pivotal in the creation of fire-resistant materials like Nomex, as well as high-performance polymers such as polybenzimidazole.
Molecular Weight
166.13
Molecular Formula
C8H6O4
Product Information
Description
Isophthalic acid is an organic compound with the formula C6H4(CO2H)2. This colourless solid is an isomer of phthalic acid and terephthalic acid.
Canonical SMILES
C1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
QQVIHTHCMHWDBS-UHFFFAOYSA-N
Boiling Point
214.32°C (rough estimate)
Melting Point
341-343ºC
Flash Point
217.3ºC
Purity
>99.0%(GC)(T)
Density
1.54
Solubility
6.02e-04 M;Soluble in 8000 parts cold water, 460 parts boiling water; freely soluble in alcohol; practically insoluble in petroleum ether;In methanol: 4.0 g/100 g at 25 °C; in propanol: 1.7 g/100 g at 25 °C, 2.7 g/100 g at 50 °C; in glacial acetic acid: 0.23 g/100 g at 25 °C;Insoluble in benzene, ligroin and ether;Water solubility: 120 mg/L at 25 °C, 350 mg/L at 50 °C, 3200 mg/L at 100 °C;In water, 5400 mg/L at 14 °C (pH adjusted water for complete dissociation);Solubility in water: none in cold water, poor in boiling water
Appearance
White powder
Storage
Store under inert gas
Complexity
179
Condition to avoid
Hygroscopic
Exact Mass
166.026609g/mol
Hazard Statements
H320 : Causes eye irritation.
Heat of vaporization
1.0921X10+8 J/kmol at the melting point of 619.15 K (346 °C)
Heavy Atom Count
12
MDL Number
MFCD00002516
Monoisotopic Mass
166.026609g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Reaxys Registry Number
1909332
Refractive Index
1.5100 (estimate)
Rotatable Bond Count
2
Signal Word
Warning
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