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Isoamyl isobutyrate

UUID 08a91e70-3ddc-11dd-959e-0050c2490048
Flow Object IDfo-fb4ad54864030a31
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 2050-01-3
EC Numbers 218-078-1
prefLabel ⓘ
Language Value Provenance
en Isoamyl isobutyrate
altLabel ⓘ
Language Value Provenance
en 3-methylbutyl 2-methylpropanoate
en isoamyl 2-methylpropanoate
en isopentyl 2-methylpropanoate
en 3-Methyl-1-butyl isobutyrate
en 3-Methylbutyl isobutyrate
en Isoamyl isobutanoate
en Isobutyric acid, isopentyl ester
en Isopentyl alcohol, isobutyrate
en Isopentyl isobutyrate
en Propanoic acid, 2-methyl-, 3-methylbutyl ester
Definitions
Language Value Provenance
en A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
IUPAC name 2-methylpropanoic acid 3-methylbutyl ester, 2-methylpropionic acid isoamyl ester, 3-methylbutyl 2-methylpropanoate, isopentyl 2-methylpropanoate
Molecular formula C9H18O2
Molecular mass 158.241
Monoisotopic mass 158.13068
SMILES CC(C)CCOC(=O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-959e-0050c2490048 isopentyl isobutyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isopentyl isobutyrate Emissions/Emissions to air/Emissions to air, unspecified kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=2050-01-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butyl isobutyrate, 3-Methylbutyl isobutyrate, Isoamyl isobutanoate, Isobutyric acid, isopentyl ester, Isopentyl alcohol, isobutyrate, Isopentyl isobutyrate, Propanoic acid, 2-methyl-, 3-methylbutyl ester; object_uuid=fo-fb4ad54864030a31
cas_match_labels 1 — consensus_match group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2050-01-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb4ad54864030a31: {'2050-01-3': 'exactMatch'}
prefLabel 1 — consensus_match cas=2050-01-3; cc_chebi_agreed_name='Isoamyl isobutyrate'; object_uuid=fo-fb4ad54864030a31

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Isopentyl Isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Isoamyl isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=2050-01-3; cc_chebi_agreed_name='Isoamyl isobutyrate'; object_uuid=fo-fb4ad54864030a31
altLabel [{'@value': '3-methylbutyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isoamyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isoamyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isopentyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isopentyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-methylbutyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isoamyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isoamyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isopentyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isopentyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentyl Isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=2050-01-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-fb4ad54864030a31
altLabel [{'@value': '3-methylbutyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isoamyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isoamyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isopentyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isopentyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentyl Isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '3-methylbutyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isoamyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isoamyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isopentyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isopentyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_87537', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methyl-1-butyl isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Methylbutyl isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoamyl isobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid, isopentyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopentyl alcohol, isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopentyl isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 3-methylbutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2050-01-3', 'https://commonchemistry.cas.org/detail?cas_rn=2050-01-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=2050-01-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butyl isobutyrate, 3-Methylbutyl isobutyrate, Isoamyl isobutanoate, Isobutyric acid, isopentyl ester, Isopentyl alcohol, isobutyrate, Isopentyl isobutyrate, Propanoic acid, 2-methyl-, 3-methylbutyl ester; object_uuid=fo-fb4ad54864030a31
cas_match_labels None {'2050-01-3': 'exactMatch'} group_key=isopentylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2050-01-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-fb4ad54864030a31: {'2050-01-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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