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2-ethylhexanal

UUID cb6379a0-e0ca-4929-b53f-beba1b485824
Flow Object IDfo-1ff25a6ae89a14cb
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 123-05-7
EC Numbers 204-596-5
prefLabel
Language Value Provenance
en 2-ethylhexanal
altLabel ⓘ
Language Value Provenance
en 2-ethylcaproaldehyde
en 2-ethylhexaldehyde
en 2-ethylhexan-1-al
en 2-ethylhexylaldehyde
en 3-formylheptane
en alpha-ethylcaproaldehyde
en alpha-ethylhexanal
en beta-propyl-alpha-ethylacrolein
en butyl ethyl acetaldehyde
en butylethylacetaldehyde
en ethylbutylacetaldehyde
en (±)-2-Ethylhexanal
en Caproaldehyde, α-ethyl-
en Hexanal, 2-ethyl-
en NSC 42871
en α-Ethylcaproaldehyde
en α-Ethylhexanal
Definitions
Language Value Provenance
en A saturated fatty aldehyde that is heptane in which one of the hydrogens at position 3 has been replaced by a formyl group. It is a metabolite of the plasticisers di-2-ethylhexyl phthalate (DEHP) and di-2-ethylhexyl adipate (DEHA).
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LGYNIFWIKSEESD-UHFFFAOYSA-N
InChI InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
IUPAC name 2-ethylhexanal
Molecular formula C8H16O
Molecular mass 128.215
Monoisotopic mass 128.12012
SMILES CCCCC(C=O)CC, CCCCC(CC)C=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 cb6379a0-e0ca-4929-b53f-beba1b485824 2-ethylhexanal

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-ethylhexanal Emissions/Emissions to soil/Emissions to soil, 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=2-ethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=123-05-7; added Common Chemistry CAS names as altLabel: (±)-2-Ethylhexanal, Caproaldehyde, α-ethyl-, Hexanal, 2-ethyl-, NSC 42871, α-Ethylcaproaldehyde, α-Ethylhexanal; object_uuid=fo-1ff25a6ae89a14cb
cas_match_labels 1 — consensus_match group_key=2-ethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-05-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1ff25a6ae89a14cb: {'123-05-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-ethylcaproaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylcaproaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylheptane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylheptane', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethylcaproaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethylcaproaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethylhexanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethylhexanal', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-propyl-alpha-ethylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-propyl-alpha-ethylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyl ethyl acetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyl ethyl acetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butylethylacetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butylethylacetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethylbutylacetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethylbutylacetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-ethylcaproaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylcaproaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylheptane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylheptane', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethylcaproaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethylcaproaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethylhexanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethylhexanal', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'beta-propyl-alpha-ethylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:beta-propyl-alpha-ethylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyl ethyl acetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyl ethyl acetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butylethylacetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butylethylacetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'ethylbutylacetaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:ethylbutylacetaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_87809', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-2-Ethylhexanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caproaldehyde, α-ethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanal, 2-ethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 42871', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethylcaproaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethylhexanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:123-05-7', 'https://commonchemistry.cas.org/detail?cas_rn=123-05-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexanal||dimension=Environmental > media=Air > strata=Unknown; cas=123-05-7; added Common Chemistry CAS names as altLabel: (±)-2-Ethylhexanal, Caproaldehyde, α-ethyl-, Hexanal, 2-ethyl-, NSC 42871, α-Ethylcaproaldehyde, α-Ethylhexanal; object_uuid=fo-1ff25a6ae89a14cb
cas_match_labels None {'123-05-7': 'exactMatch'} group_key=2-ethylhexanal||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'123-05-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-1ff25a6ae89a14cb: {'123-05-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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