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Isobutyl Isobutyrate

UUID 08a91e70-3ddc-11dd-95b0-0050c2490048
Flow Object IDfo-7f6491546a7c8dd4
Source EF 3.1
Context Environmental → Air → High stack, >150 meters
CAS Numbers 97-85-8
EC Numbers 202-612-5
prefLabel
Language Value Provenance
en Isobutyl Isobutyrate
altLabel ⓘ
Language Value Provenance
en 2-methylpropyl 2-methylpropanoate
en 2-Methylpropionic acid isobutyl ester
en 2-Methylpropyl 2-methylpropionate
en 2-Methylpropyl isobutyrate
en Isobutyl isobutanoate
en Isobutyric acid, isobutyl ester
en NSC 6538
en Propanoic acid, 2-methyl-, 2-methylpropyl ester
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey RXGUIWHIADMCFC-UHFFFAOYSA-N
InChI InChI=1S/C8H16O2/c1-6(2)5-10-8(9)7(3)4/h6-7H,5H2,1-4H3
IUPAC name 2-methylpropanoic acid 2-methylpropyl ester, 2-methylpropionic acid isobutyl ester, 2-methylpropyl 2-methylpropanoate, isobutyl 2-methylpropanoate
Molecular formula C8H16O2
Molecular mass 144.214
Monoisotopic mass 144.11503
SMILES CC(C)COC(=O)C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-95b0-0050c2490048 isobutyl isobutyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isobutyl isobutyrate Emissions/Emissions to air/Emissions to non-urban air or from high stacks 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=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=97-85-8; added Common Chemistry CAS names as altLabel: 2-Methylpropionic acid isobutyl ester, 2-Methylpropyl 2-methylpropionate, 2-Methylpropyl isobutyrate, Isobutyl isobutanoate, Isobutyric acid, isobutyl ester, NSC 6538, Propanoic acid, 2-methyl-, 2-methylpropyl ester; object_uuid=fo-7f6491546a7c8dd4
cas_match_labels 1 — consensus_match group_key=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6491546a7c8dd4: {'97-85-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataHigh stack, >150 meters

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-methylpropyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_179934', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methylpropyl 2-methylpropanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl 2-methylpropanoate', 'http://purl.obolibrary.org/obo/CHEBI_179934', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Methylpropionic acid isobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropyl 2-methylpropionate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylpropyl isobutyrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyl isobutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isobutyric acid, isobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 6538', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Propanoic acid, 2-methyl-, 2-methylpropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:97-85-8', 'https://commonchemistry.cas.org/detail?cas_rn=97-85-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; cas=97-85-8; added Common Chemistry CAS names as altLabel: 2-Methylpropionic acid isobutyl ester, 2-Methylpropyl 2-methylpropionate, 2-Methylpropyl isobutyrate, Isobutyl isobutanoate, Isobutyric acid, isobutyl ester, NSC 6538, Propanoic acid, 2-methyl-, 2-methylpropyl ester; object_uuid=fo-7f6491546a7c8dd4
cas_match_labels None {'97-85-8': 'exactMatch'} group_key=isobutylisobutyrate||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'97-85-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f6491546a7c8dd4: {'97-85-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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