Terephthalic Acid
fo-c93c2961f3e4e9fe
Identity
- Type
- Neutral molecule
- CAS
- 100-21-0
- EC
- 202-830-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 1,4-Benzenedicarboxylic acid
- 1,4-Dicarboxybenzene
- 1,4-Phenylenedicarboxylic acid
- 4-Carboxybenzoic acid
- Amoco TA 33
- benzene-1,4-dicarboxylic acid
- p-benzenedicarboxylic acid
- p-Carboxybenzoic acid
- p-Dicarboxybenzene
- p-Phthalic acid
- para-benzenedicarboxylic acid
- QTA
- S-LOP
- TA 33LP
- TPA
- TPA (terephthalic acid)
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| IUPAC name chemrof:IUPAC_name | Terephthalic Acid |
| Molecular formula chemrof:molecular_formula | C8H6O4 |
| Molecular mass chemrof:molecular_mass | 166.132 |
| Monoisotopic mass chemrof:monoisotopic_mass | 166.026609, 166.02661 |
| SMILES string chemrof:smiles_string | O=C(O)c1ccc(C(=O)O)cc1 |
Known URLs
25Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=100-21-0 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=26876-05-1 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15702 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.573 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.211.158 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0330 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6026080 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=36973 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1374420 | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:50561 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6S7NKZ40BQ | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0002428 | enrich_references.chebi_xrefs |
| hts.usitc.gov | https://hts.usitc.gov/search?query=2917.36.00.00 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.588B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C06337 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C06337 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38157 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=TEREPHTHALATE | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7489 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24101250 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24473302 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24527803 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1909333 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q408984 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Terephthalic_acid | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 273f61ce-cd6a-4c97-9777-f4c73c358b75 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 837d08f6-a0ee-428d-acca-0482829de750 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 98853793-0fbd-4936-9609-a97c4caf3bbb | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| fcd3e17c-8ca0-4465-8b1f-487e42559fdd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 28192a97-8ea9-404c-bcb0-c21795bb07a8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| e5bb211e-61d1-44de-b52f-e2864494dd4a | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 69ac587e-46b4-4878-87e6-33ea9b507489 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| acf5d07a-0538-4cf9-827f-9e4c0a79e370 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9a91261c-7202-47eb-acfe-c9f87543660f | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3ad8251d-e432-422e-89ab-80fe860fb377 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 65c91b9a-a012-4a34-8fc2-dcadf55fbde0 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| ebcc56be-d9dc-4055-9d82-e9778123f274 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| be827616-543b-44bb-a851-404cd562d5ea | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works