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Ethyl Hexanoate

UUID c3926bfe-48a7-4e1a-a81b-69ab198ce731
Flow Object IDfo-070d0a883debccc8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 123-66-0
EC Numbers 204-640-3
prefLabel
Language Value Provenance
en Ethyl Hexanoate
altLabel ⓘ
Language Value Provenance
en Caproic acid ethyl ester
en Ethyl ester of hexanoic acid
en Ethyl hexoate
en Ethyl n-hexanoat
en ethyl caproate
en hexanoic acid ethyl ester
en n-Caproic acid ethyl ester
en Ethyl capronate
en Hexanoic acid, ethyl ester
en NSC 8882
Definitions
Language Value Provenance
en A fatty acid ethyl ester obtained by the formal condensation of hexanoic acid with ethanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SHZIWNPUGXLXDT-UHFFFAOYSA-N
InChI InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3
IUPAC name ethyl hexanoate, hexanoic acid ethyl ester
Molecular formula C8H16O2
Molecular mass 144.214
Monoisotopic mass 144.11503
SMILES CCCCCC(=O)OCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c3926bfe-48a7-4e1a-a81b-69ab198ce731 ethyl hexanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl hexanoate 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=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; cas=123-66-0; added Common Chemistry CAS names as altLabel: Ethyl capronate, Hexanoic acid, ethyl ester, NSC 8882; object_uuid=fo-070d0a883debccc8
cas_match_labels 1 — consensus_match group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-070d0a883debccc8: {'123-66-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Caproic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caproic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl ester of hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl ester of hexanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl hexoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl hexoate', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-hexanoat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-hexanoat', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl caproate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl caproate', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Caproic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Caproic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Caproic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caproic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl ester of hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl ester of hexanoic acid', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl hexoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl hexoate', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl n-hexanoat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Ethyl n-hexanoat', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethyl caproate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethyl caproate', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexanoic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexanoic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'n-Caproic acid ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:n-Caproic acid ethyl ester', 'http://purl.obolibrary.org/obo/CHEBI_86055', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Ethyl capronate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-66-0', 'https://commonchemistry.cas.org/detail?cas_rn=123-66-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-66-0', 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cas_match_labels None {'123-66-0': 'exactMatch'} group_key=ethylhexanoate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-66-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-070d0a883debccc8: {'123-66-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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