4-phenylbut-3-en-2-one

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UUID 9c34a7a2-ada4-4483-9994-8f898efbd554

Flow Object ID fo-2015dba728551a22

Source EF 3.1

Context Environmental → Water → Unknown

CAS Numbers 122-57-6

EC Numbers 204-555-1

prefLabel

Language	Value	Provenance
`en`	`4-phenylbut-3-en-2-one`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Phenylvinyl methyl ketone`
`en`	`4-Phenyl-3-buten-2-one`
`en`	`Acetocinnamone`
`en`	`BENZ`
`en`	`Benzalaceton`
`en`	`Benzalacetone`
`en`	`Benzilidene acetone`
`en`	`Benzilideneacetone`
`en`	`Benzylidene acetone`
`en`	`Methyl 2-phenylvinyl ketone`
`en`	`Methyl beta-styryl ketone`
`en`	`Methyl styryl ketone`
`en`	`Styryl methyl ketone`
`en`	`1-Phenyl-1-buten-3-one`
`en`	`2-Butenone, 4-phenyl-`
`en`	`2-Phenylethenyl methyl ketone`
`en`	`3-Buten-2-one, 4-phenyl-`
`en`	`4-Phenyl-3-butene-2-one`
`en`	`4-Phenylbutenone`
`en`	`Benzylideneacetone`
`en`	`Ketone, methyl styryl`
`en`	`Methyl phenylvinyl ketone`
`en`	`Methyl β-styryl ketone`
`en`	`NSC 5605`

Definitions

Language	Value	Provenance
`en`	An enone in which a phenyl ring is attached to the β-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the α,β-unsaturated ketone, only the trans-isomer is observed.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`BWHOZHOGCMHOBV-UHFFFAOYSA-N`
InChI	`InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3`
Molecular formula	`C10H10O`
Molecular mass	`146.189`
Monoisotopic mass	`146.07316`
SMILES	`[H]C(=Cc1ccccc1)C(C)=O`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9c34a7a2-ada4-4483-9994-8f898efbd554`	4-phenylbut-3-en-2-one

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	4-phenylbut-3-en-2-one	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-phenylbut-3-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=122-57-6; added Common Chemistry CAS names as altLabel: 1-Phenyl-1-buten-3-one, 2-Butenone, 4-phenyl-, 2-Phenylethenyl methyl ketone, 3-Buten-2-one, 4-phenyl-, 4-Phenyl-3-butene-2-one, 4-Phenylbutenone, Benzylideneacetone, Ketone, methyl styryl, Methyl phenylvinyl ketone, Methyl β-styryl ketone, NSC 5605; object_uuid=fo-2015dba728551a22
`cas_match_labels`	1	`—`	consensus_match	group_key=4-phenylbut-3-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'122-57-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2015dba728551a22: {'122-57-6': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '2-Phenylvinyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Phenylvinyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Phenyl-3-buten-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Phenyl-3-buten-2-one', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetocinnamone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetocinnamone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BENZ', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BENZ', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzalaceton', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzalaceton', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzalacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzalacetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzilidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzilidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzilideneacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzilideneacetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl 2-phenylvinyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl 2-phenylvinyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl beta-styryl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl beta-styryl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl styryl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl styryl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Styryl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Styryl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '2-Phenylvinyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-Phenylvinyl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-Phenyl-3-buten-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-Phenyl-3-buten-2-one', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetocinnamone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetocinnamone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'BENZ', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BENZ', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzalaceton', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzalaceton', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzalacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzalacetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzilidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzilidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzilideneacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzilideneacetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Benzylidene acetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Benzylidene acetone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl 2-phenylvinyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl 2-phenylvinyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl beta-styryl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl beta-styryl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl styryl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl styryl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Styryl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Styryl methyl ketone', 'http://purl.obolibrary.org/obo/CHEBI_217301', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Phenyl-1-buten-3-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butenone, 4-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Phenylethenyl methyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Buten-2-one, 4-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Phenyl-3-butene-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4-Phenylbutenone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzylideneacetone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ketone, methyl styryl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl phenylvinyl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl β-styryl ketone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5605', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-57-6', 'https://commonchemistry.cas.org/detail?cas_rn=122-57-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=4-phenylbut-3-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=122-57-6; added Common Chemistry CAS names as altLabel: 1-Phenyl-1-buten-3-one, 2-Butenone, 4-phenyl-, 2-Phenylethenyl methyl ketone, 3-Buten-2-one, 4-phenyl-, 4-Phenyl-3-butene-2-one, 4-Phenylbutenone, Benzylideneacetone, Ketone, methyl styryl, Methyl phenylvinyl ketone, Methyl β-styryl ketone, NSC 5605; object_uuid=fo-2015dba728551a22
`cas_match_labels`	`None`	`{'122-57-6': 'exactMatch'}`	group_key=4-phenylbut-3-en-2-one\|\|dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory']; cas_sources={'122-57-6': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-2015dba728551a22: {'122-57-6': '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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  "ec_numbers": [
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  "context": {
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    "media": "Water",
    "water_body": "Unknown"
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  "general_comment": null,
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  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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