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Tetrahydrolinalool

UUID e24b65c8-f63b-49b7-b5c2-d2d661421979
Flow Object IDfo-2a91027a009acdf9
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 78-69-3
EC Numbers 201-133-9
prefLabel
Language Value Provenance
en Tetrahydrolinalool
altLabel ⓘ
Language Value Provenance
en 2,6-Dimethyl-6-octanol
en 3,7-Dimethyl-3-octanol
en 3-Octanol, 3,7-dimethyl-
en Linalool tetrahydride
en NSC 128151
en 3,7-dimethyloctan-3-ol
Definitions
Language Value Provenance
en A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey DLHQZZUEERVIGQ-UHFFFAOYSA-N
InChI InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
IUPAC name 3,7-dimethyl-3-octanol, 3,7-dimethyloctan-3-ol
Molecular formula C10H22O
Molecular mass 158.285
Monoisotopic mass 158.167065, 158.16707
SMILES CCC(C)(CCCC(C)C)O, CCC(C)(O)CCCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 e24b65c8-f63b-49b7-b5c2-d2d661421979 3,7-dimethyloctan-3-ol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,7-dimethyloctan-3-ol Emissions/Emissions to water/Emissions to fresh water 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=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; cas=78-69-3; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-6-octanol, 3,7-Dimethyl-3-octanol, 3-Octanol, 3,7-dimethyl-, Linalool tetrahydride, NSC 128151; object_uuid=fo-2a91027a009acdf9
cas_match_labels 1 — consensus_match group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a91027a009acdf9: {'78-69-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'tetrahydrolinalool', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetrahydrolinalool', 'http://purl.obolibrary.org/obo/CHEBI_84242', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'tetrahydrolinalool', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tetrahydrolinalool', 'http://purl.obolibrary.org/obo/CHEBI_84242', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-Dimethyl-6-octanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=78-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,7-Dimethyl-3-octanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=78-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Octanol, 3,7-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=78-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Linalool tetrahydride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=78-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 128151', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:78-69-3', 'https://commonchemistry.cas.org/detail?cas_rn=78-69-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; cas=78-69-3; added Common Chemistry CAS names as altLabel: 2,6-Dimethyl-6-octanol, 3,7-Dimethyl-3-octanol, 3-Octanol, 3,7-dimethyl-, Linalool tetrahydride, NSC 128151; object_uuid=fo-2a91027a009acdf9
cas_match_labels None {'78-69-3': 'exactMatch'} group_key=3,7-dimethyloctan-3-ol||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'78-69-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a91027a009acdf9: {'78-69-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.2507e-7
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