Terephthalic Acid
Catalog Number
ACM100210-1
CAS
100-21-0
IUPAC Name
terephthalic acid
Synonyms
TEREPHTHALIC ACID FOR SYNTHESIS;Terephthalic acid;Terephthalicacid;TEREPHTHALIC ACID/BENZENE-1,4-DICARBOXYLIC ACID;p-Phthalic acid
Application
Terephthalic acid (TPA) can be synthesized from bio-based materials for a variety of s, which include the production of polyester fiber, non-fiber field, PET bottles, synthetic perfumes and medicines.
Terephthalic acid is used as a linker molecule in the preparation of metal organic frameworks (MOFs).
Terephthalic acid is used as a linker molecule in the preparation of metal organic frameworks (MOFs).
Molecular Weight
166.13
Molecular Formula
C8H6O4
Product Information
Description
Terephthalic acid (a portmanteau of the turpentine producing tree terebinthus, and phthalic acid) is the organic compound with formula C6H4(CO2H)2. This White solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles. Several million tonnes are produced annually.
Canonical SMILES
OC(=O)c1ccc(cc1)C(O)=O
InChI
1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key
KKEYFWRCBNTPAC-UHFFFAOYSA-N
Boiling Point
greater than 572 °F at 760 mm Hg (sublimes without melting) (NTP, 1992);>572°F (sublimes)
Melting Point
300ºC
Flash Point
260ºC
Purity
99%
Density
1.51
Solubility
Insoluble (NTP, 1992);9.03e-05 M;Insoluble in chloroform, ether, acetic acid; slightly soluble in alcohol; soluble in alkalies;Solubilities at 25 °C (g/100 g solvent): water = 0.0017, glacial acetic acid = 0.013, methanol = 0.1, dimethylformamide = 6.7, dimethyl sulfoxide = 19.0;In water, 15 mg/L at 20 °C;0.015 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 0.28
Appearance
White to Almost white powder to crystal
Storage
Store under inert gas, 2-8°C
Complexity
169
Condition to avoid
Air Sensitive,Heat Sensitive
Exact Mass
166.026609g/mol
Hazard Statements
H320 : Causes eye irritation.H372 : Causes damage to organs through prolonged or repeated exposure.H335 : May cause respiratory irritation.
Heavy Atom Count
12
MDL Number
MFCD00002558
Monoisotopic Mass
166.026609g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P314 : Get medical advice/ attention if you feel unwell.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.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.
Reaxys Registry Number
1909333
Refractive Index
1.648
Rotatable Bond Count
2
Signal Word
Danger
Solubility In Water
water: ~0.017 g/L at 25 °C
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