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Isobutyl Isobutyrate

UUID e2fb7a0c-6555-11dd-ad8b-0800200c9a66
Flow Object IDfo-7f6491546a7c8dd4
Source EF 3.1
Context Environmental → Water → Ocean
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 e2fb7a0c-6555-11dd-ad8b-0800200c9a66 isobutyl isobutyrate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isobutyl isobutyrate 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=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
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
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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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