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Methyl Hexanoate

UUID adf078b1-57cf-4837-8229-b9f927c2f261
Flow Object IDfo-a397a38beb296f84
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 106-70-7
EC Numbers 203-425-1
prefLabel
Language Value Provenance
en Methyl Hexanoate
altLabel ⓘ
Language Value Provenance
en Caproic acid, methyl ester
en Hexanoic acid, methyl ester
en Methyl caproate
en Methyl capronate
en Methyl hexoate
en Methyl hexylate
en Methyl n-hexanoate
en Agnique 610G
en Caproic acid methyl ester
en Methyl <em>n</em>-hexanoate
en NSC 5023
en Pastell M 6
Definitions
Language Value Provenance
en A fatty acid methyl ester derived from hexanoic (caproic acid).
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NUKZAGXMHTUAFE-UHFFFAOYSA-N
InChI InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
IUPAC name hexanoic acid methyl ester, methyl hexanoate
Molecular formula C7H14O2
Molecular mass 130.187
Monoisotopic mass 130.09938
SMILES CCCCCC(=O)OC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 adf078b1-57cf-4837-8229-b9f927c2f261 methyl hexanoate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 methyl hexanoate Emissions/Emissions to water/Emissions to sea water 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=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=106-70-7; added Common Chemistry CAS names as altLabel: Agnique 610G, Caproic acid methyl ester, Methyl <em>n</em>-hexanoate, NSC 5023, Pastell M 6; object_uuid=fo-a397a38beb296f84
cas_match_labels 1 — consensus_match group_key=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a397a38beb296f84: {'106-70-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Caproic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caproic acid, methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexanoic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexanoic acid, methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl caproate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl caproate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl capronate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl capronate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl hexoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl hexoate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl hexylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl hexylate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl n-hexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl n-hexanoate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Caproic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Caproic acid, methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Hexanoic acid, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Hexanoic acid, methyl ester', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl caproate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl caproate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl capronate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl capronate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl hexoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl hexoate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl hexylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl hexylate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Methyl n-hexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Methyl n-hexanoate', 'http://purl.obolibrary.org/obo/CHEBI_77322', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Agnique 610G', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=106-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caproic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=106-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyl <em>n</em>-hexanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=106-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 5023', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=106-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pastell M 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=106-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; cas=106-70-7; added Common Chemistry CAS names as altLabel: Agnique 610G, Caproic acid methyl ester, Methyl <em>n</em>-hexanoate, NSC 5023, Pastell M 6; object_uuid=fo-a397a38beb296f84
cas_match_labels None {'106-70-7': 'exactMatch'} group_key=methylhexanoate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-a397a38beb296f84: {'106-70-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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