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3-Methylbutanal

UUID d37489d6-c0e1-4199-97e9-57ab5f54c2d4
Flow Object IDfo-afd3a89e7a65c37c
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 590-86-3
EC Numbers 209-691-5
prefLabel ⓘ
Language Value Provenance
en 3-Methylbutanal
altLabel ⓘ
Language Value Provenance
en 3-methylbutyraldehyde
en Isoamyl aldehyde
en Isopentaldehyde
en Isovaleral
en Isovalerylaldehyde
en beta-Methylbutanal
en iso-C4H9CHO
en 3-Methyl-1-butanal
en <em>iso</em>-Valeraldehyde
en Butanal, 3-methyl-
en Butyraldehyde, 3-methyl-
en Isoamylaldehyde
en Isopentanal
en Isovaleraldehyde
en Isovaleric aldehyde
en NSC 404119
en β-Methylbutanal
Definitions
Language Value Provenance
en A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey YGHRJJRRZDOVPD-UHFFFAOYSA-N
InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
IUPAC name 3-methylbutanal, 3-methylbutyraldehyde
Molecular formula C5H10O
Molecular mass 86.134
Monoisotopic mass 86.07316
SMILES CC(C)CC=O, [H]C(=O)CC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 d37489d6-c0e1-4199-97e9-57ab5f54c2d4 isovaleraldehyde

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 isovaleraldehyde Emissions/Emissions to air/Emissions to air, indoor 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=isovaleraldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=590-86-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butanal, <em>iso</em>-Valeraldehyde, Butanal, 3-methyl-, Butyraldehyde, 3-methyl-, Isoamylaldehyde, Isopentanal, Isovaleraldehyde, Isovaleric aldehyde, NSC 404119, β-Methylbutanal; object_uuid=fo-afd3a89e7a65c37c
cas_match_labels 1 — consensus_match group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'590-86-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afd3a89e7a65c37c: {'590-86-3': 'exactMatch'}
prefLabel 1 — consensus_match cas=590-86-3; cc_chebi_agreed_name='3-Methylbutanal'; object_uuid=fo-afd3a89e7a65c37c

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Isovaleraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '3-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=590-86-3; cc_chebi_agreed_name='3-Methylbutanal'; object_uuid=fo-afd3a89e7a65c37c
altLabel [{'@value': '3-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Methylbutanal', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-methylbutyraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyraldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoamyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoamyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isopentaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovaleral', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovalerylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovalerylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylbutanal', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-C4H9CHO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-C4H9CHO', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3-methylbutyraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyraldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoamyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoamyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isopentaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovaleral', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovalerylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovalerylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylbutanal', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-C4H9CHO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-C4H9CHO', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleraldehyde', '@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=590-86-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-afd3a89e7a65c37c
altLabel [{'@value': '3-methylbutyraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyraldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoamyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoamyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isopentaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovaleral', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovalerylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovalerylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylbutanal', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-C4H9CHO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-C4H9CHO', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleraldehyde', '@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-methylbutyraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-methylbutyraldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isoamyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isoamyl aldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isopentaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isopentaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovaleral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovaleral', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Isovalerylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Isovalerylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-Methylbutanal', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'iso-C4H9CHO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:iso-C4H9CHO', 'http://purl.obolibrary.org/obo/CHEBI_16638', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Methyl-1-butanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>iso</em>-Valeraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanal, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyraldehyde, 3-methyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isoamylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isopentanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleraldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isovaleric aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 404119', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Methylbutanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:590-86-3', 'https://commonchemistry.cas.org/detail?cas_rn=590-86-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=590-86-3; added Common Chemistry CAS names as altLabel: 3-Methyl-1-butanal, <em>iso</em>-Valeraldehyde, Butanal, 3-methyl-, Butyraldehyde, 3-methyl-, Isoamylaldehyde, Isopentanal, Isovaleraldehyde, Isovaleric aldehyde, NSC 404119, β-Methylbutanal; object_uuid=fo-afd3a89e7a65c37c
cas_match_labels None {'590-86-3': 'exactMatch'} group_key=isovaleraldehyde||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'590-86-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-afd3a89e7a65c37c: {'590-86-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
  "cas_numbers": [
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  "general_comment": null,
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  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.58892
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  "source": "EF 3.1",
  "identifier": "d37489d6-c0e1-4199-97e9-57ab5f54c2d4",
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