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3,5,5-Trimethyl-1-hexanol

UUID 55e850ab-ecab-41f7-833a-a853dfec607f
Deprecated yes
Replaced By 25b82c2f-2126-4473-82b9-031cc408393c
Flow Object IDfo-9c8b1e268945f730
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 3452-97-9
EC Numbers 222-376-7
prefLabel ⓘ
Language Value Provenance
en 3,5,5-Trimethyl-1-hexanol
altLabel ⓘ
Language Value Provenance
en 1-Hexanol, 3,5,5-trimethyl-
en 3,5,5-Trimethylhexanol
en 3,5,5-Trimethylhexyl alcohol
en <em>i</em>-Nonyl alcohol
en NSC 83151
en NSC 97226
en Nonylol
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey BODRLKRKPXBDBN-UHFFFAOYSA-N
InChI InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
IUPAC name 3,5,5-trimethyl-1-hexanol, 3,5,5-trimethylhexan-1-ol
Molecular formula C9H20O
Molecular mass 144.258
Monoisotopic mass 144.15142
SMILES CC(CCO)CC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 55e850ab-ecab-41f7-833a-a853dfec607f 3,5,5-trimethylhexan-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=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3452-97-9; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanol, 3,5,5-Trimethylhexyl alcohol, <em>i</em>-Nonyl alcohol, NSC 83151, NSC 97226, Nonylol; object_uuid=fo-9c8b1e268945f730
cas_match_labels 1 — consensus_match group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3452-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c8b1e268945f730: {'3452-97-9': 'exactMatch'}
prefLabel 1 — consensus_match cas=3452-97-9; cc_chebi_agreed_name='3,5,5-Trimethyl-1-hexanol'; object_uuid=fo-9c8b1e268945f730

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3,5,5-trimethylhexan-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': '3,5,5-Trimethyl-1-hexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=3452-97-9; cc_chebi_agreed_name='3,5,5-Trimethyl-1-hexanol'; object_uuid=fo-9c8b1e268945f730
altLabel None [{'@value': '3,5,5-trimethylhexan-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=3452-97-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-9c8b1e268945f730
altLabel [{'@value': '3,5,5-trimethylhexan-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': '1-Hexanol, 3,5,5-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethylhexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,5,5-Trimethylhexyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>i</em>-Nonyl alcohol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 83151', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 97226', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nonylol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3452-97-9', 'https://commonchemistry.cas.org/detail?cas_rn=3452-97-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=3452-97-9; added Common Chemistry CAS names as altLabel: 1-Hexanol, 3,5,5-trimethyl-, 3,5,5-Trimethylhexanol, 3,5,5-Trimethylhexyl alcohol, <em>i</em>-Nonyl alcohol, NSC 83151, NSC 97226, Nonylol; object_uuid=fo-9c8b1e268945f730
cas_match_labels None {'3452-97-9': 'exactMatch'} group_key=3,5,5-trimethylhexan-1-ol||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3452-97-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9c8b1e268945f730: {'3452-97-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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