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Methyl Phenylacetate

UUID cf28412f-5c35-4cfa-a318-71e9f8992cd7
Flow Object IDfo-62d35d0f3a39a54b
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 101-41-7
EC Numbers 202-940-9
prefLabel
Language Value Provenance
en Methyl Phenylacetate
altLabel
Language Value Provenance
en methyl 2-phenylacetate
en 2-Methoxy-1-phenyl-2-oxoethane
en Acetic acid, phenyl-, methyl ester
en Benzeneacetic acid, methyl ester
en Methyl benzeneacetate
en Methyl benzeneethanoate
en Methyl phenylethanoate
en Methyl α-phenylacetate
en Methyl α-toluate
en NSC 401667
en NSC 9405
en Phenylacetic acid methyl ester
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CRZQGDNQQAALAY-UHFFFAOYSA-N
InChI InChI=1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
IUPAC name 2-phenylacetic acid methyl ester, methyl 2-phenylacetate, methyl 2-phenylethanoate
Molecular formula C9H10O2
Molecular mass 150.177
Monoisotopic mass 150.06808
SMILES COC(=O)CC1=CC=CC=C1, COC(=O)Cc1ccccc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 cf28412f-5c35-4cfa-a318-71e9f8992cd7 methyl phenylacetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl phenylacetate 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=methylphenylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=101-41-7; added Common Chemistry CAS names as altLabel: 2-Methoxy-1-phenyl-2-oxoethane, Acetic acid, phenyl-, methyl ester, Benzeneacetic acid, methyl ester, Methyl benzeneacetate, Methyl benzeneethanoate, Methyl phenylethanoate, Methyl α-phenylacetate, Methyl α-toluate, NSC 401667, NSC 9405, Phenylacetic acid methyl ester; object_uuid=fo-62d35d0f3a39a54b
cas_match_labels 1 consensus_match group_key=methylphenylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'101-41-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-62d35d0f3a39a54b: {'101-41-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'methyl 2-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 2-phenylacetate', 'http://purl.obolibrary.org/obo/CHEBI_167404', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'methyl 2-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:methyl 2-phenylacetate', 'http://purl.obolibrary.org/obo/CHEBI_167404', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methoxy-1-phenyl-2-oxoethane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, phenyl-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl benzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl benzeneethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl phenylethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl α-phenylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl α-toluate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 401667', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 9405', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenylacetic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:101-41-7', 'https://commonchemistry.cas.org/detail?cas_rn=101-41-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methylphenylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=101-41-7; added Common Chemistry CAS names as altLabel: 2-Methoxy-1-phenyl-2-oxoethane, Acetic acid, phenyl-, methyl ester, Benzeneacetic acid, methyl ester, Methyl benzeneacetate, Methyl benzeneethanoate, Methyl phenylethanoate, Methyl α-phenylacetate, Methyl α-toluate, NSC 401667, NSC 9405, Phenylacetic acid methyl ester; object_uuid=fo-62d35d0f3a39a54b
cas_match_labels None {'101-41-7': 'exactMatch'} group_key=methylphenylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'101-41-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-62d35d0f3a39a54b: {'101-41-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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