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Phenyl Acetate

2D structure
UUID 2495a9c0-e8fe-4cd9-a31d-527ef42da4ac
Deprecated yes
Replaced By 0fc6a377-e0ac-4a85-b431-687bd1a03dde
Flow Object IDfo-7d51127c139fdbaf
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 122-79-2
EC Numbers 204-575-0
prefLabel
Language Value Provenance
en Phenyl Acetate
altLabel ⓘ
Language Value Provenance
en Acetic acid,phenyl ester
en Acetylphenol
en Phenol acetate
en (Acetyloxy)benzene
en 2-Acetoxybenzene
en Acetic acid, phenyl ester
en Acetoxybenzene
en NSC 27795
Definitions
Language Value Provenance
en An acetate ester obtained by the formal condensation of phenol with acetic acid.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey IPBVNPXQWQGGJP-UHFFFAOYSA-N
InChI InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
IUPAC name acetic acid phenyl ester, phenyl acetate, phenyl ethanoate
Molecular formula C8H8O2
Molecular mass 136.15
Monoisotopic mass 136.052429, 136.05243
SMILES CC(=O)OC1=CC=CC=C1, CC(=O)Oc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2495a9c0-e8fe-4cd9-a31d-527ef42da4ac phenyl acetate

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=phenylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=122-79-2; added Common Chemistry CAS names as altLabel: (Acetyloxy)benzene, 2-Acetoxybenzene, Acetic acid, phenyl ester, Acetoxybenzene, NSC 27795; object_uuid=fo-7d51127c139fdbaf
cas_match_labels 1 — consensus_match group_key=phenylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'122-79-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d51127c139fdbaf: {'122-79-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Acetic acid,phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetic acid,phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetylphenol', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenol acetate', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Acetic acid,phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetic acid,phenyl ester', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Acetylphenol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Acetylphenol', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenol acetate', 'http://purl.obolibrary.org/obo/CHEBI_8082', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Acetyloxy)benzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=122-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Acetoxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=122-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, phenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=122-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetoxybenzene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=122-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 27795', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:122-79-2', 'https://commonchemistry.cas.org/detail?cas_rn=122-79-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=122-79-2; added Common Chemistry CAS names as altLabel: (Acetyloxy)benzene, 2-Acetoxybenzene, Acetic acid, phenyl ester, Acetoxybenzene, NSC 27795; object_uuid=fo-7d51127c139fdbaf
cas_match_labels None {'122-79-2': 'exactMatch'} group_key=phenylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'122-79-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7d51127c139fdbaf: {'122-79-2': '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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