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2-Butyl-1-octanol

UUID 2a233767-a97c-46a0-a5ab-e29fe037b24d
Deprecated yes
Replaced By b5d85f69-d0a4-42e8-a885-462ec6e53993
Flow Object IDfo-bcaa02a2b85ca675
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 3913-02-8
EC Numbers 223-470-0
prefLabel
Language Value Provenance
en 2-Butyl-1-octanol
altLabel
Language Value Provenance
en 2-butyloctanol
en 2-butyloctyl alcohol
en 5-(hydroxymethyl)undecane
en butyloctanol
en 1-Octanol, 2-butyl-
en Butyloctyl alcohol
en Guerbet C12
en Guerbet dodecanol
en Isofol 12
en Jarcol I 12
en NSC 2414
Definitions
Language Value Provenance
en A primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey XMVBHZBLHNOQON-UHFFFAOYSA-N
InChI InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3
IUPAC name 2-butyl-1-octanol, 2-butyloctan-1-ol
Molecular formula C12H26O
Molecular mass 186.339
Monoisotopic mass 186.19837
SMILES CCCCCCC(CCCC)CO, CCCCCCC(CO)CCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2a233767-a97c-46a0-a5ab-e29fe037b24d 2-butyloctan-1-ol

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=2-butyloctan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=3913-02-8; added Common Chemistry CAS names as altLabel: 1-Octanol, 2-butyl-, Butyloctyl alcohol, Guerbet C12, Guerbet dodecanol, Isofol 12, Jarcol I 12, NSC 2414; object_uuid=fo-bcaa02a2b85ca675
cas_match_labels 1 consensus_match group_key=2-butyloctan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3913-02-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bcaa02a2b85ca675: {'3913-02-8': 'exactMatch'}
prefLabel 1 consensus_match cas=3913-02-8; cc_chebi_agreed_name='2-Butyl-1-octanol'; object_uuid=fo-bcaa02a2b85ca675

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2-butyloctan-1-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '2-Butyl-1-octanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=3913-02-8; cc_chebi_agreed_name='2-Butyl-1-octanol'; object_uuid=fo-bcaa02a2b85ca675
altLabel [{'@value': '2-butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctyl alcohol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-(hydroxymethyl)undecane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-(hydroxymethyl)undecane', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctyl alcohol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-(hydroxymethyl)undecane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-(hydroxymethyl)undecane', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctan-1-ol', '@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=3913-02-8; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bcaa02a2b85ca675
altLabel [{'@value': '2-butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctyl alcohol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-(hydroxymethyl)undecane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-(hydroxymethyl)undecane', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctan-1-ol', '@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': '2-butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-butyloctyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-butyloctyl alcohol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '5-(hydroxymethyl)undecane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:5-(hydroxymethyl)undecane', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'butyloctanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:butyloctanol', 'http://purl.obolibrary.org/obo/CHEBI_84235', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Octanol, 2-butyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butyloctyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Guerbet C12', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Guerbet dodecanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isofol 12', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Jarcol I 12', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 2414', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3913-02-8', 'https://commonchemistry.cas.org/detail?cas_rn=3913-02-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-butyloctan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; cas=3913-02-8; added Common Chemistry CAS names as altLabel: 1-Octanol, 2-butyl-, Butyloctyl alcohol, Guerbet C12, Guerbet dodecanol, Isofol 12, Jarcol I 12, NSC 2414; object_uuid=fo-bcaa02a2b85ca675
cas_match_labels None {'3913-02-8': 'exactMatch'} group_key=2-butyloctan-1-ol||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3913-02-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bcaa02a2b85ca675: {'3913-02-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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