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2-ethylhexanoic Acid

UUID 9752cfd4-0e9c-429d-ad2f-ad1e969ac313
Deprecated yes
Replaced By cbce3c08-76bd-4acb-aaf1-44e61b7ea6fa
Flow Object IDfo-53fe49edf56b6de8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 149-57-5
EC Numbers 205-743-6
prefLabel
Language Value Provenance
en 2-ethylhexanoic Acid
altLabel ⓘ
Language Value Provenance
en (±)-2-Ethylhexanoic acid
en 2-Butylbutanoic acid
en 2-Ethyl-1-hexanoic acid
en 2-Ethylcaproic acid
en 2-Ethylhexoic acid
en 3-Heptanecarboxylic acid
en Butylethylacetic acid
en Caproic acid, α-ethyl-
en Ethylhexanoic acid
en Hexanoic acid, 2-ethyl-
en NSC 8881
en Octylic acid
en α-Ethylcaproic acid
en α-Ethylhexanoic acid
References
Shared Properties
Predicate Value
InChIKey DKHKWOWKZHBBGV-UHFFFAOYSA-N, OBETXYAYXDNJHR-SSDOTTSWSA-M, OBETXYAYXDNJHR-UHFFFAOYSA-N, WWZKQHOCKIZLMA-UHFFFAOYSA-N
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6(4-2)8(10)11/h6H,3-5H2,1-2H3,(H,10,11), InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10), InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10), InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/p-1/t7-/m1/s1
IUPAC name (2R)-2-ethylhexanoate, 2-ethyl-3-keto-hexanoic acid, 2-ethyl-3-oxidanylidene-hexanoic acid, 2-ethyl-3-oxo-hexanoic acid, 2-ethyl-3-oxohexanoic acid, 2-ethylhexanoic acid, caprylic acid, octanoic acid
Molecular formula C8H14O3, C8H15O2-, C8H16O2
SMILES CCCC(=O)C(CC)C(=O)O, CCCCC(CC)C(=O)O, CCCCC(CC)C(=O)[O-], CCCCCCCC(=O)O, CCCC[C@@H](CC)C(=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9752cfd4-0e9c-429d-ad2f-ad1e969ac313 2-ethylhexanoic acid

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-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=149-57-5; added Common Chemistry CAS names as altLabel: (±)-2-Ethylhexanoic acid, 2-Butylbutanoic acid, 2-Ethyl-1-hexanoic acid, 2-Ethylcaproic acid, 2-Ethylhexoic acid, 3-Heptanecarboxylic acid, Butylethylacetic acid, Caproic acid, α-ethyl-, Ethylhexanoic acid, Hexanoic acid, 2-ethyl-, NSC 8881, Octylic acid, α-Ethylcaproic acid, α-Ethylhexanoic acid; object_uuid=fo-53fe49edf56b6de8
cas_match_labels 1 — consensus_match group_key=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-57-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-53fe49edf56b6de8: {'149-57-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(±)-2-Ethylhexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butylbutanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethyl-1-hexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylcaproic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Heptanecarboxylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butylethylacetic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caproic acid, α-ethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethylhexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, 2-ethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8881', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octylic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethylcaproic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethylhexanoic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:149-57-5', 'https://commonchemistry.cas.org/detail?cas_rn=149-57-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=149-57-5; added Common Chemistry CAS names as altLabel: (±)-2-Ethylhexanoic acid, 2-Butylbutanoic acid, 2-Ethyl-1-hexanoic acid, 2-Ethylcaproic acid, 2-Ethylhexoic acid, 3-Heptanecarboxylic acid, Butylethylacetic acid, Caproic acid, α-ethyl-, Ethylhexanoic acid, Hexanoic acid, 2-ethyl-, NSC 8881, Octylic acid, α-Ethylcaproic acid, α-Ethylhexanoic acid; object_uuid=fo-53fe49edf56b6de8
cas_match_labels None {'149-57-5': 'exactMatch'} group_key=2-ethylhexanoicacid||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'149-57-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-53fe49edf56b6de8: {'149-57-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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