CAS 88-99-3 Phthalic Acid - Materials / Alfa Chemistry

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Monomers

Phthalic Acid

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Catalog Number

ACM88993-1

Product Name

Phthalic Acid

Structure

CAS

88-99-3

Category

Monomers

Synonyms

1,2-Benzenedicarboxylic acid;

Description

Phthalic acid is an aromatic dicarboxylic acid, with formula C6H4(CO2H)2. It is an isomer of isophthalic acid and terephthalic acid. Although phthalic acid is of modest commercial importance, the closely related derivative phthalic anhydride is a commodity chemical produced on a large scale.

IUPAC Name

Phthalic acid

Molecular Weight

166.13

Molecular Formula

C8H6O4

Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChI Key

XNGIFLGASWRNHJ-UHFFFAOYSA-N

Boiling Point

214.32 °C

Melting Point

200-205ºC

Flash Point

168ºC

Purity

99%

Density

1.451 g/cm³

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);0.04 M;Soluble in alcohol; sparingly soluble in ether;1 g dissolves in 160 ml water, 10 ml alc, 205 ml ether, 5.3 ml methanol; practically insol in chloroform;In water, 6,965 mg/L at 25 °C;7.01 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.625 (poor)

Appearance

White crystals

Storage

Store under inert gas

Color/Form

Colorless crystals;Plates from water

Complexity

177

Covalently-Bonded Unit Count

EC Number

201-873-2;233-493-8;229-927-0;240-321-5

Exact Mass

166.026609g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

ICSC Number

0768

Log P

1.08300

MDL Number

MFCD00002467

MeSH Entry Terms

disodium phthalate;phthalate;phthalic acid;phthalic acid, copper salt;phthalic acid, dipotassium salt;phthalic acid, disodium salt;phthalic acid, monobarium salt;phthalic acid, monocalcium salt;phthalic acid, monoiron (2+) salt;phthalic acid, monolead (2+) salt;phthalic acid, monopotassium salt;phthalic acid, monoruthenium salt;phthalic acid, monosodium salt;phthalic acid, potassium salt;phthalic acid, potassium, sodium salt;phthalic acid, sodium salt;potassium hydrogen phthalate

Monoisotopic Mass

166.026609g/mol

NSC Number

5348

Other Experimental

...When rapidly heated, forming phthalic anhydride and water;Melting point: ca. 210 °C, converted into phthalic anhydride with the elimination of water.;Density/specific gravity: 9.4864 kmol/cu m @ 20 °C;Specific heat = 1138 J/kg-K at 300 K;Specific heat of solid (0-99 °C) 1.214 J/g-K;Heat of fusion = 315.3 J/g;Heat of solution = 123.55 J/g at 25 °C;Triple point temperature and pressure = 464.15 K (estimated to be equal to the melting point), 7.8183X10+3 Pa;Boiling point = 598.00 K (Based on predicted value for phthalic acid by Meissner's method with a suitable adjustment for isomerism based on similar compound relationships.);Melting point = 464.15 K (determined in a sealed tube);Henry's Law constant = 2.1X10-11 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.24X10-12 cu cm/molecule-sec at 25 °C (est)

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.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.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Refractive Index

1.5100 (estimate)

Rotatable Bond Count

RTECS Number

TH9625000

Signal Word

Warning

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage Conditions

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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