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4-nonylphenol

UUID 9826c6c4-c5a2-4590-9ffd-ab625c2604f5
Flow Object IDfo-41b988f6fa76902c
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 84852-15-3
EC Numbers 284-325-5
prefLabel ⓘ
Language Value Provenance
en 4-nonylphenol
altLabel ⓘ
Language Value Provenance
en Phenol, 4-nonyl-, branched
References
Shared Properties
Predicate Value
InChIKey IGFHQQFPSIBGKE-UHFFFAOYSA-N, JSFITYFUKSFPBZ-UHFFFAOYSA-N, ONKNPOPIGWHAQC-UHFFFAOYSA-N, QXSVSEVSCCJKAS-UHFFFAOYSA-N, SNQQPOLDUKLAAF-UHFFFAOYSA-N
InChI InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3, InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3, InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3, InChI=1S/C15H24O/c1-3-5-13(6-4-2)7-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3, InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
IUPAC name 2-nonylphenol, 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopent[g]isochromene, 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g][2]benzopyran, 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene, 4-(3-propylhexyl)phenol, 4-(7-methyloctyl)phenol, 4-nonylphenol
Molecular formula C15H24O, C18H26O
SMILES CC(C)CCCCCCC1=CC=C(C=C1)O, CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C, CCCC(CCC)CCC1=CC=C(C=C1)O, CCCCCCCCCC1=CC=C(C=C1)O, CCCCCCCCCC1=CC=CC=C1O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9826c6c4-c5a2-4590-9ffd-ab625c2604f5 Phenol, 4-nonyl-, branched

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 Phenol, 4-nonyl-, branched 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=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; cas=84852-15-3; added Common Chemistry CAS names as altLabel: Phenol, 4-nonyl-, branched; object_uuid=fo-41b988f6fa76902c
cas_match_labels 1 — consensus_match group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'84852-15-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-41b988f6fa76902c: {'84852-15-3': 'exactMatch'}
prefLabel 1 — consensus_match group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; cas=84852-15-3; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.5219; pubchem_entropy=2.8554; current_score=3.7219; pubchem_score=2.9754; score_improvement=0.7465; threshold=0.400; min_margin=0.400; object_uuid=fo-41b988f6fa76902c

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Phenol, 4-nonyl-, Branched', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '4-nonylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84852-15-3', 'name:4-nonylphenol', 'https://pubchem.ncbi.nlm.nih.gov/compound/1752'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}] group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; cas=84852-15-3; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=3.5219; pubchem_entropy=2.8554; current_score=3.7219; pubchem_score=2.9754; score_improvement=0.7465; threshold=0.400; min_margin=0.400; object_uuid=fo-41b988f6fa76902c
altLabel None [{'@value': 'Phenol, 4-nonyl-, Branched', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; cas=84852-15-3; added current EF name as altLabel when prefLabel differs; object_uuid=fo-41b988f6fa76902c
altLabel [{'@value': 'Phenol, 4-nonyl-, Branched', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}] [{'@value': 'Phenol, 4-nonyl-, branched', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:84852-15-3', 'https://commonchemistry.cas.org/detail?cas_rn=84852-15-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; cas=84852-15-3; added Common Chemistry CAS names as altLabel: Phenol, 4-nonyl-, branched; object_uuid=fo-41b988f6fa76902c
cas_match_labels None {'84852-15-3': 'exactMatch'} group_key=phenol,4-nonyl-,branched||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory']; cas_sources={'84852-15-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-41b988f6fa76902c: {'84852-15-3': '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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      "characterization_factor": 4.9448e-8
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