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Dichloroacetic acid

UUID 08a91e70-3ddc-11dd-9a4d-0050c2490048
Flow Object IDfo-ab37471c246535c0
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 79-43-6
EC Numbers 201-207-0
prefLabel ⓘ
Language Value Provenance
en Dichloroacetic acid
altLabel ⓘ
Language Value Provenance
en DICHLORO-ACETIC ACID
en Dichloressigsaeure
en Dichloroacetate
en bichloracetic acid
en dichloracetic acid
en 2,2-Dichloroacetic acid
en Acetic acid, 2,2-dichloro-
en Acetic acid, dichloro-
en DCA
en DCA (acid)
en DCAA
en DKhUK
en Dichlorethanoic acid
en Dichloroethanoic acid
en MeSH ID: D003999
en NSC 2654
Definitions
Language Value Provenance
en An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey JXTHNDFMNIQAHM-UHFFFAOYSA-N
InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
IUPAC name 2,2-bis(chloranyl)ethanoic acid, 2,2-dichloroacetic acid
Molecular formula C2H2Cl2O2
Molecular mass 128.942
Monoisotopic mass 127.94318
SMILES C(C(=O)O)(Cl)Cl, O=C(O)C(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9a4d-0050c2490048 2,2-dichloroacetic acid

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-dichloroacetic acid Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=2,2-dichloroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=79-43-6; added Common Chemistry CAS names as altLabel: 2,2-Dichloroacetic acid, Acetic acid, 2,2-dichloro-, Acetic acid, dichloro-, DCA, DCA (acid), DCAA, DKhUK, Dichlorethanoic acid, Dichloroethanoic acid, MeSH ID: D003999, NSC 2654; object_uuid=fo-ab37471c246535c0
cas_match_labels 1 — consensus_match group_key=2,2-dichloroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-43-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ab37471c246535c0: {'79-43-6': 'exactMatch'}
prefLabel 1 — consensus_match cas=79-43-6; cc_chebi_agreed_name='Dichloroacetic acid'; object_uuid=fo-ab37471c246535c0

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2,2-dichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Dichloroacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=79-43-6; cc_chebi_agreed_name='Dichloroacetic acid'; object_uuid=fo-ab37471c246535c0
altLabel [{'@value': 'DICHLORO-ACETIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DICHLORO-ACETIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloroacetate', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloroacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloroacetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'DICHLORO-ACETIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DICHLORO-ACETIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloroacetate', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2-dichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=79-43-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-ab37471c246535c0
altLabel [{'@value': 'DICHLORO-ACETIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DICHLORO-ACETIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloroacetate', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2-dichloroacetic Acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'DICHLORO-ACETIC ACID', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:DICHLORO-ACETIC ACID', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloressigsaeure', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloressigsaeure', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Dichloroacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Dichloroacetate', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloracetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloracetic acid', 'http://purl.obolibrary.org/obo/CHEBI_36386', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2-Dichloroacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, 2,2-dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, dichloro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DCA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DCA (acid)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DCAA', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DKhUK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dichlorethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dichloroethanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D003999', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2654', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:79-43-6', 'https://commonchemistry.cas.org/detail?cas_rn=79-43-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-dichloroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; cas=79-43-6; added Common Chemistry CAS names as altLabel: 2,2-Dichloroacetic acid, Acetic acid, 2,2-dichloro-, Acetic acid, dichloro-, DCA, DCA (acid), DCAA, DKhUK, Dichlorethanoic acid, Dichloroethanoic acid, MeSH ID: D003999, NSC 2654; object_uuid=fo-ab37471c246535c0
cas_match_labels None {'79-43-6': 'exactMatch'} group_key=2,2-dichloroaceticacid||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'79-43-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ab37471c246535c0: {'79-43-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "unit": "kg",
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