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Benzonitrile, 3,5-dimethyl-4-hydroxy-

UUID 85639a5d-b0f9-4d08-bb7c-f17dd7e51aa4
Flow Object IDfo-7262ee260ba25938
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 4198-90-7
EC Numbers 452-810-2
prefLabel
Language Value Provenance
en Benzonitrile, 3,5-dimethyl-4-hydroxy-
altLabel ⓘ
Language Value Provenance
en 2,6-Dimethyl-4-cyanophenol
en 3,5-Dimethyl-4-hydroxybenzonitrile
en 4-Cyano-2,6-dimethylphenol
en 4-Hydroxy-3,5-dimethylbenzonitrile
en Benzonitrile, 4-hydroxy-3,5-dimethyl-
References
Shared Properties
Predicate Value
InChIKey WFYGXOWFEIOHCZ-UHFFFAOYSA-N, YMYRIGNUXGMIRL-UHFFFAOYSA-N
InChI InChI=1S/C21H20/c1-13-5-6-14-7-8-15-11-17(21(2,3)4)12-16-9-10-18(13)20(14)19(15)16/h5-12H,1-4H3, InChI=1S/C9H9NO/c1-6-3-8(5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
IUPAC name 3,5-dimethyl-4-oxidanyl-benzenecarbonitrile, 4-hydroxy-3,5-dimethyl-benzonitrile, 4-hydroxy-3,5-dimethylbenzonitrile, 7-tert-butyl-1-methyl-pyrene, 7-tert-butyl-1-methylpyrene
Molecular formula C21H20, C9H9NO
SMILES CC1=C2C=CC3=C4C2=C(C=C1)C=CC4=CC(=C3)C(C)(C)C, CC1=CC(=CC(=C1O)C)C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 85639a5d-b0f9-4d08-bb7c-f17dd7e51aa4 benzonitrile, 3,5-dimethyl-4-hydroxy-

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 benzonitrile, 3,5-dimethyl-4-hydroxy- 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 1 — consensus_match group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Unknown; cas=4198-90-7; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-cyanophenol, 3,5-Dimethyl-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethylphenol, 4-Hydroxy-3,5-dimethylbenzonitrile, Benzonitrile, 4-hydroxy-3,5-dimethyl-; object_uuid=fo-7262ee260ba25938
cas_match_labels 1 — consensus_match group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'4198-90-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7262ee260ba25938: {'4198-90-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,6-Dimethyl-4-cyanophenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4198-90-7', 'https://commonchemistry.cas.org/detail?cas_rn=4198-90-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5-Dimethyl-4-hydroxybenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4198-90-7', 'https://commonchemistry.cas.org/detail?cas_rn=4198-90-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Cyano-2,6-dimethylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4198-90-7', 'https://commonchemistry.cas.org/detail?cas_rn=4198-90-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Hydroxy-3,5-dimethylbenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4198-90-7', 'https://commonchemistry.cas.org/detail?cas_rn=4198-90-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, 4-hydroxy-3,5-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4198-90-7', 'https://commonchemistry.cas.org/detail?cas_rn=4198-90-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Unknown; cas=4198-90-7; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-4-cyanophenol, 3,5-Dimethyl-4-hydroxybenzonitrile, 4-Cyano-2,6-dimethylphenol, 4-Hydroxy-3,5-dimethylbenzonitrile, Benzonitrile, 4-hydroxy-3,5-dimethyl-; object_uuid=fo-7262ee260ba25938
cas_match_labels None {'4198-90-7': 'exactMatch'} group_key=benzonitrile,3,5-dimethyl-4-hydroxy-||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'4198-90-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7262ee260ba25938: {'4198-90-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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