Terephthalic Acid

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UUID 837d08f6-a0ee-428d-acca-0482829de750

Flow Object ID fo-c93c2961f3e4e9fe

Source EF 3.1

Context Environmental → Air → Ground level → Urban (>1000 people/square mile)

CAS Numbers 100-21-0

EC Numbers 202-830-0

prefLabel

Language	Value	Provenance
`en`	`Terephthalic Acid`

altLabel ⓘ

Language	Value	Provenance
`en`	`1,4-Benzenedicarboxylic acid`
`en`	`TPA`
`en`	`benzene-1,4-dicarboxylic acid`
`en`	`p-benzenedicarboxylic acid`
`en`	`para-benzenedicarboxylic acid`
`en`	`1,4-Dicarboxybenzene`
`en`	`1,4-Phenylenedicarboxylic acid`
`en`	`4-Carboxybenzoic acid`
`en`	`<em>p</em>-Benzenedicarboxylic acid`
`en`	`<em>p</em>-Carboxybenzoic acid`
`en`	`<em>p</em>-Dicarboxybenzene`
`en`	`<em>p</em>-Phthalic acid`
`en`	`Amoco TA 33`
`en`	`LA 31`
`en`	`NSC 36973`
`en`	`PTM 6633`
`en`	`QTA`
`en`	`S-LOP`
`en`	`TA 33LP`
`en`	`TPA (terephthalic acid)`
`en`	`WR 16262`

Definitions

Language	Value	Provenance
`en`	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.

References

Shared Properties

Predicate	Value
Formal charge	`0`
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)`
IUPAC name	`terephthalic acid`
Molecular formula	`C8H6O4`
Molecular mass	`166.132`
Monoisotopic mass	`166.02661`
SMILES	`C1=CC(=CC=C1C(=O)O)C(=O)O, O=C(O)c1ccc(C(=O)O)cc1`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`837d08f6-a0ee-428d-acca-0482829de750`	terephthalic acid

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	terephthalic acid	Emissions/Emissions to air/Emissions to urban air close to ground	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	group_key=terephthalicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=100-21-0; added Common Chemistry CAS names as altLabel: 1,4-Dicarboxybenzene, 1,4-Phenylenedicarboxylic acid, 4-Carboxybenzoic acid, <em>p</em>-Benzenedicarboxylic acid, <em>p</em>-Carboxybenzoic acid, <em>p</em>-Dicarboxybenzene, <em>p</em>-Phthalic acid, Amoco TA 33, LA 31, NSC 36973, PTM 6633, QTA, S-LOP, TA 33LP, TPA (terephthalic acid), WR 16262; object_uuid=fo-c93c2961f3e4e9fe
`cas_match_labels`	1	`—`	consensus_match	group_key=terephthalicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-21-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c93c2961f3e4e9fe: {'100-21-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Ground level
population_density	Urban (>1000 people/square mile)

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '1,4-Benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4-Benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TPA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TPA', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzene-1,4-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzene-1,4-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '1,4-Benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4-Benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'TPA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:TPA', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzene-1,4-dicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzene-1,4-dicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'p-benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:p-benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'para-benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:para-benzenedicarboxylic acid', 'http://purl.obolibrary.org/obo/CHEBI_15702', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4-Dicarboxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4-Phenylenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Carboxybenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Benzenedicarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Carboxybenzoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Dicarboxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-Phthalic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Amoco TA 33', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'LA 31', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 36973', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'PTM 6633', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'QTA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'S-LOP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TA 33LP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'TPA (terephthalic acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'WR 16262', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:100-21-0', 'https://commonchemistry.cas.org/detail?cas_rn=100-21-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=terephthalicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=100-21-0; added Common Chemistry CAS names as altLabel: 1,4-Dicarboxybenzene, 1,4-Phenylenedicarboxylic acid, 4-Carboxybenzoic acid, <em>p</em>-Benzenedicarboxylic acid, <em>p</em>-Carboxybenzoic acid, <em>p</em>-Dicarboxybenzene, <em>p</em>-Phthalic acid, Amoco TA 33, LA 31, NSC 36973, PTM 6633, QTA, S-LOP, TA 33LP, TPA (terephthalic acid), WR 16262; object_uuid=fo-c93c2961f3e4e9fe
`cas_match_labels`	`None`	`{'100-21-0': 'exactMatch'}`	group_key=terephthalicacid\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'100-21-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c93c2961f3e4e9fe: {'100-21-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
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    "media": "Air",
    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
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  "general_comment": null,
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      "characterization_factor": 24.254
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 0.00016172
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    {
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      "characterization_factor": 0.00016172
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    {
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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  "source": "EF 3.1",
  "identifier": "837d08f6-a0ee-428d-acca-0482829de750",
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          "Emissions to air",
          "Emissions to urban air close to ground"
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