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Isobutyl Acetate

UUID 08a91e70-3ddc-11dd-95aa-0050c2490048
Flow Object IDfo-8ea8ca38c3051cf0
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 110-19-0
EC Numbers 203-745-1
prefLabel
Language Value Provenance
en Isobutyl Acetate
altLabel ⓘ
Language Value Provenance
en 2-methyl-1-propyl acetate
en 2-methylpropyl acetate
en 2-methylpropyl ethanoate
en Essigsaeureisobutylester
en Isobutylacetat
en Isobutylazetat
en acetate d'isobutyle
en acetic acid, 2-methylpropyl ester
en acetic acid, isobutyl ester
en beta-methylpropyl ethanoate
en i-butyl acetate
en isobutyl ethanoate
en NSC 8035
en β-Methylpropyl ethanoate
Definitions
Language Value Provenance
en The acetate ester of isobutanol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GJRQTCIYDGXPES-UHFFFAOYSA-N
InChI InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
IUPAC name 2-methylpropyl acetate, 2-methylpropyl ethanoate, acetic acid 2-methylpropyl ester, acetic acid isobutyl ester, isobutyl acetate
Molecular formula C6H12O2
Molecular mass 116.16
Monoisotopic mass 116.08373
SMILES CC(=O)OCC(C)C, CC(C)COC(=O)C

Source List References

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

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isobutyl acetate 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=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=110-19-0; added Common Chemistry CAS names as altLabel: NSC 8035, β-Methylpropyl ethanoate; object_uuid=fo-8ea8ca38c3051cf0
cas_match_labels 1 — consensus_match group_key=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-19-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea8ca38c3051cf0: {'110-19-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-methyl-1-propyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-1-propyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpropyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpropyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Essigsaeureisobutylester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Essigsaeureisobutylester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutylacetat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutylacetat', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutylazetat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutylazetat', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "acetate d'isobutyle", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:acetate d'isobutyle", 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetic acid, 2-methylpropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetic acid, 2-methylpropyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetic acid, isobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetic acid, isobutyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-methylpropyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-methylpropyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'i-butyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:i-butyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-methyl-1-propyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methyl-1-propyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpropyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-methylpropyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-methylpropyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Essigsaeureisobutylester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Essigsaeureisobutylester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutylacetat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutylacetat', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isobutylazetat', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isobutylazetat', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "acetate d'isobutyle", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:acetate d'isobutyle", 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetic acid, 2-methylpropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetic acid, 2-methylpropyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'acetic acid, isobutyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:acetic acid, isobutyl ester', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-methylpropyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-methylpropyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'i-butyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:i-butyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'isobutyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:isobutyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_50569', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'NSC 8035', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-19-0', 'https://commonchemistry.cas.org/detail?cas_rn=110-19-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Methylpropyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:110-19-0', 'https://commonchemistry.cas.org/detail?cas_rn=110-19-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=110-19-0; added Common Chemistry CAS names as altLabel: NSC 8035, β-Methylpropyl ethanoate; object_uuid=fo-8ea8ca38c3051cf0
cas_match_labels None {'110-19-0': 'exactMatch'} group_key=isobutylacetate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'110-19-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8ea8ca38c3051cf0: {'110-19-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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    "water_body": "Unknown"
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  "unit": "kg",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.2593e-9
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