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4-tert-butylbenzonitrile

UUID 99d5688d-b863-45a6-9012-951b82fed50a
Flow Object IDfo-3efceb62547bafa6
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 4210-32-6
EC Numbers 224-137-2
prefLabel
Language Value Provenance
en 4-tert-butylbenzonitrile
altLabel ⓘ
Language Value Provenance
en 1-Cyano-4-(<em>tert</em>-butyl)benzene
en 4-(1,1-Dimethylethyl)benzonitrile
en 4-<em>tert</em>-Butylbenzonitrile
en <em>p</em>-<em>tert</em>-Butylbenzonitrile
en Benzonitrile, 4-(1,1-dimethylethyl)-
en Benzonitrile, <em>p</em>-<em>tert</em>-butyl-
References
Shared Properties
Predicate Value
InChIKey IIZURLNRIMKEDL-UHFFFAOYSA-N, ZLOQZKZKMHZNSD-UWVGGRQHSA-N
InChI InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3, InChI=1S/C14H18N2O5/c17-11-4-3-8(7-12(11)18)6-10(14(20)21)16-13(19)9-2-1-5-15-9/h3-4,7,9-10,15,17-18H,1-2,5-6H2,(H,16,19)(H,20,21)/t9-,10-/m0/s1
IUPAC name (2S)-3-(3,4-dihydroxyphenyl)-2-[[(2S)-prolyl]amino]propionic acid, (2S)-3-(3,4-dihydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoic acid, (2S)-3-(3,4-dihydroxyphenyl)-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]propanoic acid, (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]propanoic acid, 4-tert-butylbenzenecarbonitrile, 4-tert-butylbenzonitrile
Molecular formula C11H13N, C14H18N2O5
SMILES C1CC(NC1)C(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O, C1C[C@H](NC1)C(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O, CC(C)(C)C1=CC=C(C=C1)C#N

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 99d5688d-b863-45a6-9012-951b82fed50a 4-tert-butylbenzonitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 4-tert-butylbenzonitrile Emissions/Emissions to water/Emissions to water, unspecified 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=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=4210-32-6; added Common Chemistry CAS names as altLabel: 1-Cyano-4-(<em>tert</em>-butyl)benzene, 4-(1,1-Dimethylethyl)benzonitrile, 4-<em>tert</em>-Butylbenzonitrile, <em>p</em>-<em>tert</em>-Butylbenzonitrile, Benzonitrile, 4-(1,1-dimethylethyl)-, Benzonitrile, <em>p</em>-<em>tert</em>-butyl-; object_uuid=fo-3efceb62547bafa6
cas_match_labels 1 — consensus_match group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4210-32-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3efceb62547bafa6: {'4210-32-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1-Cyano-4-(<em>tert</em>-butyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-(1,1-Dimethylethyl)benzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-<em>tert</em>-Butylbenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>p</em>-<em>tert</em>-Butylbenzonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, 4-(1,1-dimethylethyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzonitrile, <em>p</em>-<em>tert</em>-butyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4210-32-6', 'https://commonchemistry.cas.org/detail?cas_rn=4210-32-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; cas=4210-32-6; added Common Chemistry CAS names as altLabel: 1-Cyano-4-(<em>tert</em>-butyl)benzene, 4-(1,1-Dimethylethyl)benzonitrile, 4-<em>tert</em>-Butylbenzonitrile, <em>p</em>-<em>tert</em>-Butylbenzonitrile, Benzonitrile, 4-(1,1-dimethylethyl)-, Benzonitrile, <em>p</em>-<em>tert</em>-butyl-; object_uuid=fo-3efceb62547bafa6
cas_match_labels None {'4210-32-6': 'exactMatch'} group_key=4-tert-butylbenzonitrile||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'4210-32-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-3efceb62547bafa6: {'4210-32-6': '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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