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2,2,4-Trimethyl-4-phenyl-butane-nitrile

UUID 48efc8b2-76a3-4ab2-a775-a8b0fbb53243
Flow Object IDfo-70e8524dfbc3b314
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 75490-39-0
EC Numbers 422-580-8
prefLabel
Language Value Provenance
en 2,2,4-Trimethyl-4-phenyl-butane-nitrile
altLabel ⓘ
Language Value Provenance
en 2,2,4-Trimethyl-4-phenylbutanenitrile
en 2,2-Dimethyl-4-phenyl-valeronitrile
en Benzenebutanenitrile, α,α,γ-trimethyl-
en Valeronitrile, 2,2-dimethyl-4-phenyl-
en α,α,γ-Trimethylbenzenebutanenitrile
en 2,2-dimethyl-4-phenylpentanenitrile
References
Shared Properties
Predicate Value
InChIKey GWCCFAFCQHECBM-UHFFFAOYSA-N
InChI InChI=1S/C13H17N/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3
IUPAC name 2,2-dimethyl-4-phenyl-pentanenitrile, 2,2-dimethyl-4-phenyl-valeronitrile, 2,2-dimethyl-4-phenylpentanenitrile
Molecular formula C13H17N
Molecular mass 187.286
Monoisotopic mass 187.1361
SMILES CC(CC(C)(C)C#N)C1=CC=CC=C1, CC(CC(C)(C)C#N)c1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 48efc8b2-76a3-4ab2-a775-a8b0fbb53243 2,2-dimethyl-4-phenylpentanenitrile

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2-dimethyl-4-phenylpentanenitrile Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=75490-39-0; added Common Chemistry CAS names as altLabel: 2,2,4-Trimethyl-4-phenylbutanenitrile, 2,2-Dimethyl-4-phenyl-valeronitrile, Benzenebutanenitrile, α,α,γ-trimethyl-, Valeronitrile, 2,2-dimethyl-4-phenyl-, α,α,γ-Trimethylbenzenebutanenitrile; object_uuid=fo-70e8524dfbc3b314
cas_match_labels 1 — consensus_match group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'75490-39-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-70e8524dfbc3b314: {'75490-39-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2,2,4-Trimethyl-4-phenylbutanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75490-39-0', 'https://commonchemistry.cas.org/detail?cas_rn=75490-39-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2-Dimethyl-4-phenyl-valeronitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75490-39-0', 'https://commonchemistry.cas.org/detail?cas_rn=75490-39-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenebutanenitrile, α,α,γ-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75490-39-0', 'https://commonchemistry.cas.org/detail?cas_rn=75490-39-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Valeronitrile, 2,2-dimethyl-4-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75490-39-0', 'https://commonchemistry.cas.org/detail?cas_rn=75490-39-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α,α,γ-Trimethylbenzenebutanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:75490-39-0', 'https://commonchemistry.cas.org/detail?cas_rn=75490-39-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; cas=75490-39-0; added Common Chemistry CAS names as altLabel: 2,2,4-Trimethyl-4-phenylbutanenitrile, 2,2-Dimethyl-4-phenyl-valeronitrile, Benzenebutanenitrile, α,α,γ-trimethyl-, Valeronitrile, 2,2-dimethyl-4-phenyl-, α,α,γ-Trimethylbenzenebutanenitrile; object_uuid=fo-70e8524dfbc3b314
cas_match_labels None {'75490-39-0': 'exactMatch'} group_key=2,2-dimethyl-4-phenylpentanenitrile||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'75490-39-0': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-70e8524dfbc3b314: {'75490-39-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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