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Phenylacetonitrile

UUID 37286fa2-b717-43ad-9703-3ea854544069
Deprecated yes
Replaced By d3fe6ce1-8b7d-4e62-9642-73a8a0602d61
Flow Object IDfo-dedbcd1a8622cb60
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 140-29-4
EC Numbers 205-410-5
prefLabel
Language Value Provenance
en Phenylacetonitrile
altLabel ⓘ
Language Value Provenance
en (cyanomethyl)benzene
en 2-phenylacetonitrile
en Benzyl cyanide
en alpha-cyanotoluene
en alpha-tolunitrile
en benzeneacetonitrile
en benzyl nitrile
en 2-Phenylethanenitrile
en Acetonitrile, phenyl-
en Benzeneethanenitrile
en NSC 118418
en NSC 3407
en Phenacetonitrile
en α-Cyanotoluene
en α-Phenylacetonitrile
en α-Tolunitrile
en ω-Cyanotoluene
Definitions
Language Value Provenance
en A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SUSQOBVLVYHIEX-UHFFFAOYSA-N
InChI InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
IUPAC name 2-phenylacetonitrile, 2-phenylethanenitrile
Molecular formula C8H7N
Molecular mass 117.151
Monoisotopic mass 117.05785
SMILES C1=CC=C(C=C1)CC#N, N#CCc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 37286fa2-b717-43ad-9703-3ea854544069 phenylacetonitrile

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=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=140-29-4; added Common Chemistry CAS names as altLabel: 2-Phenylethanenitrile, Acetonitrile, phenyl-, Benzeneethanenitrile, NSC 118418, NSC 3407, Phenacetonitrile, α-Cyanotoluene, α-Phenylacetonitrile, α-Tolunitrile, ω-Cyanotoluene; object_uuid=fo-dedbcd1a8622cb60
cas_match_labels 1 — consensus_match group_key=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'140-29-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dedbcd1a8622cb60: {'140-29-4': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(cyanomethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(cyanomethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-phenylacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-phenylacetonitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-cyanotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-cyanotoluene', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-tolunitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-tolunitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzeneacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzeneacetonitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzyl nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzyl nitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(cyanomethyl)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(cyanomethyl)benzene', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-phenylacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-phenylacetonitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzyl cyanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzyl cyanide', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-cyanotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-cyanotoluene', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-tolunitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-tolunitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzeneacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzeneacetonitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'benzyl nitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:benzyl nitrile', 'http://purl.obolibrary.org/obo/CHEBI_25979', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Phenylethanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetonitrile, phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneethanenitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 118418', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 3407', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Cyanotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Phenylacetonitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Tolunitrile', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω-Cyanotoluene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:140-29-4', 'https://commonchemistry.cas.org/detail?cas_rn=140-29-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; cas=140-29-4; added Common Chemistry CAS names as altLabel: 2-Phenylethanenitrile, Acetonitrile, phenyl-, Benzeneethanenitrile, NSC 118418, NSC 3407, Phenacetonitrile, α-Cyanotoluene, α-Phenylacetonitrile, α-Tolunitrile, ω-Cyanotoluene; object_uuid=fo-dedbcd1a8622cb60
cas_match_labels None {'140-29-4': 'exactMatch'} group_key=phenylacetonitrile||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'140-29-4': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dedbcd1a8622cb60: {'140-29-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "context": {
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    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "37286fa2-b717-43ad-9703-3ea854544069",
  "input_datasets": [
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          "Emissions to water, unspecified (long-term)"
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