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2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate

UUID d579f2fa-2fea-4afa-901d-65c4263e5e01
Flow Object IDfo-a2a376c1e0297eb6
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 68890-66-4
EC Numbers 272-574-2
prefLabel ⓘ
Language Value Provenance
en 2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate
altLabel ⓘ
Language Value Provenance
en 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt
en Piroctone ethanolamine salt
en 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt
en 2(1<em>H</em>)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)
en Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1<em>H</em>)-pyridinone (1:1)
en M 875
en Octopirox
en Octopyrox
en Piroctone olamine
Definitions
Language Value Provenance
en An organoammonium salt that is the ethanolamine salt of piroctone.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GHPFVSRTGHIHCD-UHFFFAOYSA-O
InChI InChI=1S/C14H22NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11H,7,9H2,1-5H3;4H,1-3H2/q-1;/p+1
IUPAC name 2-hydroxyethylammonium;4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)-2-pyridinone, 2-hydroxyethylammonium;4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)-2-pyridone, 2-hydroxyethylammonium;4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)pyridin-2-one, 2-hydroxyethylazanium;4-methyl-1-oxidanidyl-6-(2,4,4-trimethylpentyl)pyridin-2-one, 2-hydroxyethylazanium;4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)pyridin-2-one
Molecular formula C14H22NO2.C2H8NO, C16H30N2O3
Molecular mass 298.427
Monoisotopic mass 298.22564
SMILES CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)[O-].C(CO)[NH3+], Cc1cc(CC(C)CC(C)(C)C)n([O-])c(=O)c1.[NH3+]CCO

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d579f2fa-2fea-4afa-901d-65c4263e5e01 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1) Emissions/Emissions to soil/Emissions to agricultural soil 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=1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one-2-aminoethanol(1:1)||dimension=Environmental > media=Air > indoor=Unknown; cas=68890-66-4; added Common Chemistry CAS names as altLabel: 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt, 2(1<em>H</em>)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1), Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1<em>H</em>)-pyridinone (1:1), M 875, Octopirox, Octopyrox; object_uuid=fo-a2a376c1e0297eb6
cas_match_labels 1 — consensus_match group_key=1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one-2-aminoethanol(1:1)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'68890-66-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2a376c1e0297eb6: {'68890-66-4': 'exactMatch'}
prefLabel 1 — consensus_match cas=68890-66-4; cc_chebi_agreed_name='Piroctone olamine'; object_uuid=fo-a2a376c1e0297eb6

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Piroctone olamine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=68890-66-4; cc_chebi_agreed_name='Piroctone olamine'; object_uuid=fo-a2a376c1e0297eb6
altLabel [{'@value': '1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piroctone ethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piroctone ethanolamine salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piroctone ethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piroctone ethanolamine salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)', '@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=68890-66-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-a2a376c1e0297eb6
altLabel [{'@value': '1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piroctone ethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piroctone ethanolamine salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one - 2-aminoethanol (1:1)', '@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': '1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Piroctone ethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Piroctone ethanolamine salt', 'http://purl.obolibrary.org/obo/CHEBI_59008', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2(1<em>H</em>)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1<em>H</em>)-pyridinone (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'M 875', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octopirox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octopyrox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68890-66-4', 'https://commonchemistry.cas.org/detail?cas_rn=68890-66-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one-2-aminoethanol(1:1)||dimension=Environmental > media=Air > indoor=Unknown; cas=68890-66-4; added Common Chemistry CAS names as altLabel: 1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-pyridone monoethanolamine salt, 2(1<em>H</em>)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1), Ethanol, 2-amino-, compd. with 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1<em>H</em>)-pyridinone (1:1), M 875, Octopirox, Octopyrox; object_uuid=fo-a2a376c1e0297eb6
cas_match_labels None {'68890-66-4': 'exactMatch'} group_key=1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1h)-one-2-aminoethanol(1:1)||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'68890-66-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-a2a376c1e0297eb6: {'68890-66-4': '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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    "geography": "Agricultural"
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  "general_comment": null,
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  "unit": "kg",
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      "characterization_factor": 3.764e-8
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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