Terephthalic Acid

CAS

100-21-0

Catalog Number

ACM-MO-100210

Category

Polymer/Macromolecule; Dicarboxylic Acid Monomers

Molecular Weight

166.13 g/mol

Molecular Formula

C8H6O4

MSDS COA Spec Sheet

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Specification

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.

Synonyms

p-Phthalic Acid;
Benzene-1,4-dicarboxylic Acid

IUPAC Name

terephthalic acid

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

402 °C (dec.)

Flash Point

260ºC

Density

1.51

Solubility

Soluble in dimethylformamide.

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

Assay

98%

Autoignition Temperature

925 °F

Color/Form

Needles;White crystals or powder

Complexity

169

Condition To Avoid

Air Sensitive,Heat Sensitive

Covalently-Bonded Unit Count

Decomposition

When heated to decomposition it emits acrid smoke and irritating fumes.

Degree of solubility in water

2.8 g/l 20 °C

EC Number

202-830-0

Exact Mass

166.026609g/mol

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Form

powder

Formal Charge

Hazard Codes

Hazard Statements

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

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

HS Code

2917361100

ICSC Number

0330

LogP

1.08300

MDL Number

MFCD00002558

Monoisotopic Mass

166.026609g/mol

NACRES

NA.23

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

Physical State

Solid

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.

PSA

74.6

PubChem ID

24850686

Quality Level

100

Refractive Index

1.648

Rotatable Bond Count

RTECS Number

WZ0875000

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