Structure
Identifiers
CAS:
100-21-0IUPAC name: terephthalic acid
Formula:
C8H6O4MW: 166.13 g/mol
Structural identifiers
SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N
InChI: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
Specifications
Commercial
Inventory: to order
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Request a quote →Physical & chemical properties
Computed descriptors aggregated from PubChem for CAS 100-21-0.
| XLogP | 2 |
|---|---|
| Complexity | 169 |
| Exact mass | 166.02660867 g/mol |
| Formal charge | 0 |
| Heavy atom count | 12 |
| Monoisotopic mass | 166.02660867 g/mol |
| H-bond donor count | 2 |
| Rotatable bond count | 2 |
| H-bond acceptor count | 4 |
| Topological polar surface area (TPSA) | 74.6 Ų |
China regulatory compliance
Not listed in hazardous / restricted catalogues
Sourcing & suppliers — terephthalic acid
Grounded in ChemExact's verified supplier and document records. Sourcing questions are answered with ChemExact's own network — not third-party marketplaces.
Who supplies terephthalic acid in China?
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Which suppliers provide a COA or analysis report for terephthalic acid?
A batch-specific Certificate of Analysis ships with every terephthalic acid (CAS 100-21-0) order. Request the latest COA through ChemExact — every quote includes a COA and batch traceability.
Frequently asked questions
Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.
What is terephthalic acid (CAS 100-21-0)?
terephthalic acid is a chemical compound with molecular formula C8H6O4 and molecular weight ≈ 166.13 g/mol. Its CAS Registry Number is 100-21-0. Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-).
What chemical does CAS 100-21-0 refer to?
CAS Registry Number 100-21-0 refers to terephthalic acid, molecular formula C8H6O4, molecular weight ≈ 166.13 g/mol. The CAS number is verifiable on PubChem, CAS Common Chemistry and ECHA. To source terephthalic acid, submit an RFQ on this page to be matched with ChemExact's verified supplier network, with batch COAs.
What is the molecular formula and weight of terephthalic acid (CAS 100-21-0)?
The molecular formula of terephthalic acid is C8H6O4, and the molecular weight is 166.13 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of terephthalic acid?
The canonical SMILES of terephthalic acid is `C1=CC(=CC=C1C(=O)O)C(=O)O`, and the InChIKey is `KKEYFWRCBNTPAC-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of terephthalic acid?
Common synonyms of terephthalic acid include: TEREPHTHALIC ACID, 100-21-0, p-Phthalic acid, 1,4-Benzenedicarboxylic acid, benzene-1,4-dicarboxylic acid, p-Dicarboxybenzene, 1,4-dicarboxybenzene, Acide terephtalique — 20 synonyms in total. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current price of terephthalic acid (CAS 100-21-0)?
ChemExact does not publish public price lists for terephthalic acid. No verified supplier has linked this SKU yet — submit an RFQ below and our BD team will return 3+ comparative quotes within 48–72 hours, each with batch traceability and a COA. For background market context only (non-binding), industry bulletins such as ICIS or national commodity indices may be consulted independently.
How has terephthalic acid price trended recently?
terephthalic acid pricing follows upstream feedstocks, export demand, and plant turnaround cycles. ChemExact does not quote spot indices on this page. For a procurement decision, submit an RFQ — suppliers respond with current lot pricing and lead time. Independent market bulletins (ICIS, national commodity indices) may be used only as non-binding background reference.
Who are the major manufacturers of terephthalic acid in China?
China-based manufacturers of terephthalic acid (CAS 100-21-0) are matched on demand by the ChemExact business team. Submit an RFQ or contact bd@chemexact.com — a BD advisor will shortlist candidates from regulated directories (e.g. China MEM hazardous-chemicals registration at https://whpdj.mem.gov.cn/) with full provenance on each dossier. Supplier discovery is handled through ChemExact's verified network, not third-party marketplaces.
Which suppliers in East / North / South China stock terephthalic acid?
Regional supply of terephthalic acid (CAS 100-21-0) is matched on demand through ChemExact's own verified network. Submit an RFQ stating your target region (East / North / South China), or reach the ChemExact business team at bd@chemexact.com — a BD advisor will match verified producers from regulated enterprise registries and return comparable quotes with COAs. When ChemExact's geo-browse directory is enabled, city-level supplier pages list credentials and last review dates.
Who are the largest global producers of terephthalic acid?
International supply of terephthalic acid (CAS 100-21-0) is arranged by the ChemExact business team based on export credentials. Submit an RFQ or contact bd@chemexact.com — a BD advisor will match qualified exporters and return batch COAs, trade terms, and Incoterms. For regulatory due diligence, consult ECHA REACH (CAS 100-21-0), US EPA CompTox, or Japan NITE — these are compliance references, not procurement marketplaces.
What grades of terephthalic acid are commercially available?
terephthalic acid is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy). Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files on their brand product pages.
Where can I download the SDS / MSDS for terephthalic acid (CAS 100-21-0)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/7489; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on verified ChemExact brand pages. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.
Related research papers
Open-access publications referencing terephthalic acid (CAS 100-21-0), sourced from OpenAlex.
A bacterium that degrades and assimilates poly(ethylene terephthalate)
Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
Flexible metal–organic frameworks
Bioplastics for a circular economy
Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids: MIL-53 or Cr<sup>III</sup>(OH)·{O<sub>2</sub>C−C<sub>6</sub>H<sub>4</sub>−CO<sub>2</sub>}·{HO<sub>2</sub>C−C<sub>6</sub>H<sub>4</sub>−CO<sub>2</sub>H}<i><sub>x</sub></i>·H<sub>2</sub>O<i><sub>y</sub></i>
Authoritative external references
Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.
- NIST WebBook · Terephthalic acid ↗ — NIST · Standard Reference Data Program
- ChEMBL · CHEMBL1374420 ↗ — EMBL-EBI · ChEMBL
- OpenAlex papers ↗ — OurResearch · OpenAlex
- China compliance (IECSC) ↗ — MEE · China IECSC
- PubChem PUG-View · CID 7489 ↗ — National Library of Medicine · PubChem
- PubChem · CID 7489 ↗ — National Library of Medicine · PubChem
Content & data statement.
Commercial information on this page (CAS, HS, EC, purity grade, indicative price band, lead time, inventory status,
REACH and FDA flags) is captured from supplier-controlled documents by the ChemExact editorial desk and reviewed
on a recurring cycle. Chemistry data — structures, synonyms, physico-chemical properties, hazard classifications and
the cited literature — is reconciled against internationally recognised authorities (including but not limited to
PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
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