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Pinacolin

UUID e2fab69d-6555-11dd-ad8b-0800200c9a66
Flow Object IDfo-cae485a48586063e
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 75-97-8
EC Numbers 200-920-4
prefLabel
Language Value Provenance
en Pinacolin
altLabel ⓘ
Language Value Provenance
en 1,1,1-trimethylacetone
en 1,1-dimethylethyl methyl ketone
en 2,2-dimethyl-3-butanone
en 3,3-dimethyl-2-butanone
en 3,3-dimethylbutan-2-one
en alpha,alpha,alpha--trimethylacetone
en methyl tert-butyl ketone
en methyl-t-butylketone
en pinacoline
en pinacolone
en tert-butyl methyl ketone
en 2-Butanone, 3,3-dimethyl-
en <em>tert</em>-Butyl methyl ketone
en Methyl <em>tert</em>-butyl ketone
en Methyl-<em>t</em>-butylketone
en NSC 935
Definitions
Language Value Provenance
en A methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
InChI InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
IUPAC name 3,3-dimethyl-2-butanone, 3,3-dimethylbutan-2-one, pinacolone
Molecular formula C6H12O
Molecular mass 100.161
Monoisotopic mass 100.08882
SMILES CC(=O)C(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e2fab69d-6555-11dd-ad8b-0800200c9a66 pinacolin

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 pinacolin 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 1 — consensus_match group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; cas=75-97-8; added Common Chemistry CAS names as altLabel: 2-Butanone, 3,3-dimethyl-, <em>tert</em>-Butyl methyl ketone, Methyl <em>tert</em>-butyl ketone, Methyl-<em>t</em>-butylketone, NSC 935; object_uuid=fo-cae485a48586063e
cas_match_labels 1 — consensus_match group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-97-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cae485a48586063e: {'75-97-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,1,1-trimethylacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trimethylacetone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1-dimethylethyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1-dimethylethyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2-dimethyl-3-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2-dimethyl-3-butanone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha,alpha--trimethylacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha,alpha--trimethylacetone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl tert-butyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl tert-butyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl-t-butylketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl-t-butylketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pinacoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pinacoline', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pinacolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pinacolone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tert-butyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tert-butyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,1,1-trimethylacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1,1-trimethylacetone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,1-dimethylethyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,1-dimethylethyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2-dimethyl-3-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,2-dimethyl-3-butanone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethyl-2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethyl-2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha,alpha,alpha--trimethylacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha,alpha,alpha--trimethylacetone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl tert-butyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl tert-butyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'methyl-t-butylketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl-t-butylketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pinacoline', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pinacoline', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'pinacolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:pinacolone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tert-butyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tert-butyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_197349', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Butanone, 3,3-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75-97-8', 'https://commonchemistry.cas.org/detail?cas_rn=75-97-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>tert</em>-Butyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75-97-8', 'https://commonchemistry.cas.org/detail?cas_rn=75-97-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl <em>tert</em>-butyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75-97-8', 'https://commonchemistry.cas.org/detail?cas_rn=75-97-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl-<em>t</em>-butylketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75-97-8', 'https://commonchemistry.cas.org/detail?cas_rn=75-97-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 935', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75-97-8', 'https://commonchemistry.cas.org/detail?cas_rn=75-97-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; cas=75-97-8; added Common Chemistry CAS names as altLabel: 2-Butanone, 3,3-dimethyl-, <em>tert</em>-Butyl methyl ketone, Methyl <em>tert</em>-butyl ketone, Methyl-<em>t</em>-butylketone, NSC 935; object_uuid=fo-cae485a48586063e
cas_match_labels None {'75-97-8': 'exactMatch'} group_key=pinacolin||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'75-97-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cae485a48586063e: {'75-97-8': '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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