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Phenethyl phenylacetate

UUID 27890740-39f2-4882-a11a-dae09423b184
Deprecated yes
Replaced By 069e52c5-f4c8-4bc6-8882-8f0a1ae7671e
Flow Object IDfo-aec6955f9d255727
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 102-20-5
EC Numbers 203-013-1
prefLabel
Language Value Provenance
en Phenethyl phenylacetate
altLabel ⓘ
Language Value Provenance
en 2-phenylethyl 2-phenylacetate
en 2-Phenylethyl 2-phenylethanoate
en Acetic acid, phenyl-, phenethyl ester
en Benzeneacetic acid, 2-phenylethyl ester
en Benzylcarbinyl α-toluate
en NSC 6676
en Phenethyl 2-phenylacetate
en Phenylethyl phenylacetate
en β-Phenylethyl phenylacetate
en 2-phenylethyl Phenylacetate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZOZIRNMDEZKZHM-UHFFFAOYSA-N
InChI InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
IUPAC name 2-phenylacetic acid 2-phenylethyl ester, 2-phenylacetic acid phenethyl ester, 2-phenylethyl 2-phenylacetate, 2-phenylethyl 2-phenylethanoate
Molecular formula C16H16O2
Molecular mass 240.302
Monoisotopic mass 240.11503
SMILES C1=CC=C(C=C1)CCOC(=O)CC2=CC=CC=C2, O=C(Cc1ccccc1)OCCc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 27890740-39f2-4882-a11a-dae09423b184 2-phenylethyl phenylacetate

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-phenylethylphenylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=102-20-5; added Common Chemistry CAS names as altLabel: 2-Phenylethyl 2-phenylethanoate, Acetic acid, phenyl-, phenethyl ester, Benzeneacetic acid, 2-phenylethyl ester, Benzylcarbinyl α-toluate, NSC 6676, Phenethyl 2-phenylacetate, Phenethyl phenylacetate, Phenylethyl phenylacetate, β-Phenylethyl phenylacetate; object_uuid=fo-aec6955f9d255727
cas_match_labels 1 — consensus_match group_key=2-phenylethylphenylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'102-20-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aec6955f9d255727: {'102-20-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-phenylethyl 2-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-phenylethyl 2-phenylacetate', 'http://purl.obolibrary.org/obo/CHEBI_173735', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-phenylethyl 2-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-phenylethyl 2-phenylacetate', 'http://purl.obolibrary.org/obo/CHEBI_173735', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Phenylethyl 2-phenylethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, phenyl-, phenethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 2-phenylethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzylcarbinyl α-toluate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 6676', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenethyl 2-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenethyl phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenylethyl phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Phenylethyl phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:102-20-5', 'https://commonchemistry.cas.org/detail?cas_rn=102-20-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-phenylethylphenylacetate||dimension=Environmental > media=Water > water_body=Unknown; cas=102-20-5; added Common Chemistry CAS names as altLabel: 2-Phenylethyl 2-phenylethanoate, Acetic acid, phenyl-, phenethyl ester, Benzeneacetic acid, 2-phenylethyl ester, Benzylcarbinyl α-toluate, NSC 6676, Phenethyl 2-phenylacetate, Phenethyl phenylacetate, Phenylethyl phenylacetate, β-Phenylethyl phenylacetate; object_uuid=fo-aec6955f9d255727
cas_match_labels None {'102-20-5': 'exactMatch'} group_key=2-phenylethylphenylacetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'102-20-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aec6955f9d255727: {'102-20-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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