CAS 100-21-0 Terephthalic Acid - Materials / Alfa Chemistry

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Monomers

Terephthalic Acid

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Catalog Number

ACM100210-1

Product Name

Terephthalic Acid

Structure

CAS

100-21-0

Category

Monomers

Synonyms

TEREPHTHALIC ACID FOR SYNTHESIS;Terephthalic acid;Terephthalicacid;TEREPHTHALIC ACID/BENZENE-1,4-DICARBOXYLIC ACID;p-Phthalic acid

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.

IUPAC Name

terephthalic acid

Molecular Weight

166.13

Molecular Formula

C8H6O4

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

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).

Storage

Store under inert gas, 2-8°C

Color/Form

Needles;White crystals or powder

Complexity

169

Covalently-Bonded Unit Count

EC Number

202-830-0

Exact Mass

166.026609g/mol

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Form

powder

Formal Charge

Hazard Statements

H320 : Causes eye irritation.H372 : Causes damage to organs through prolonged or repeated exposure.H335 : May cause respiratory irritation.

Heavy Atom Count

ICSC Number

0330

Log P

1.08300

MDL Number

MFCD00002558

MeSH Entry Terms

disodium terephthalate;terephthalate;terephthalic acid

Monoisotopic Mass

166.026609g/mol

NSC Number

36973

Other Experimental

Sublimes at 402 °C;Vapor pressure: 1.3 kPa at 303 °C; 13.3 kPa at 353 °C; 26.7 kPa at 370 °C; 53.3 kPa at 387 °C; 101.3 kPa at 404 °C;Vapor pressure = 0.097 kPa at 250 °C;Henry's Law constant = 3.9X10-13 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.2X10-12 cu cm/molec-sec at 25 °C (est)

Packaging

Packaging
5, 100, 500 g in poly bottle

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.

Refractive Index

1.648

Rotatable Bond Count

RTECS Number

WZ0875000

Signal Word

Danger

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage Conditions

0-6ºC

UNII