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Nerolidol

UUID 7864ab67-354d-4813-920b-67aff1ded603
Flow Object IDfo-284f0b08b518bca0
Source EF 3.1
Context Environmental → Air → Ground level → Urban (>1000 people/square mile)
CAS Numbers 7212-44-4
EC Numbers 230-597-5
prefLabel ⓘ
Language Value Provenance
en Nerolidol
altLabel ⓘ
Language Value Provenance
en 3,7,11-trimethyl-1,6,10-dodecatrien-3-ol
en 3,7,11-trimethyldodeca-1,6,10-trien-3-ol
en 3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene
en FEMA 2772
en Stirrup
en (±)-Nerolidol
en 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
en FCI 119b
en Nerodilol
Definitions
Language Value Provenance
en A farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present in various flowers and plants with a floral odor. Chemically, it exists in two geometric isomers, trans and cis forms. It is widely used in cosmetics (e.g. shampoos and perfumes), in non-cosmetic products (e.g. detergents and cleansers) and also as a food flavoring agent.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FQTLCLSUCSAZDY-SDNWHVSQSA-N, FQTLCLSUCSAZDY-UHFFFAOYSA-N
InChI InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3, InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
IUPAC name (6E)-3,7,11-trimethyl-3-dodeca-1,6,10-trienol, (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
Molecular formula C15H26O
Molecular mass 222.372
Monoisotopic mass 222.19837
SMILES CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C, CC(=CCCC(=CCCC(C)(C=C)O)C)C, [H]C(CCC(C)(O)C=C)=C(C)CCC=C(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7864ab67-354d-4813-920b-67aff1ded603 3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers Emissions/Emissions to air/Emissions to urban air close to ground kg exactMatch —

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=3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixedisomers||dimension=Environmental > media=Water > water_body=Unknown; cas=7212-44-4; added Common Chemistry CAS names as altLabel: (±)-Nerolidol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, FCI 119b, Nerodilol; object_uuid=fo-284f0b08b518bca0
cas_match_labels 1 — consensus_match group_key=3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixedisomers||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'7212-44-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-284f0b08b518bca0: {'7212-44-4': 'exactMatch'}
prefLabel 1 — consensus_match cas=7212-44-4; cc_chebi_agreed_name='Nerolidol'; object_uuid=fo-284f0b08b518bca0

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataGround level
population_densityUrban (>1000 people/square mile)

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed Isomers', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Nerolidol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7212-44-4'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=7212-44-4; cc_chebi_agreed_name='Nerolidol'; object_uuid=fo-284f0b08b518bca0
altLabel [{'@value': '3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyldodeca-1,6,10-trien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2772', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2772', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Nerolidol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Nerolidol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Stirrup', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Stirrup', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyldodeca-1,6,10-trien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2772', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2772', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Stirrup', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Stirrup', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed Isomers', '@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=7212-44-4; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-284f0b08b518bca0
altLabel [{'@value': '3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyldodeca-1,6,10-trien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2772', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2772', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Stirrup', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Stirrup', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed Isomers', '@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': '3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyl-1,6,10-dodecatrien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7,11-trimethyldodeca-1,6,10-trien-3-ol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7,11-trimethyldodeca-1,6,10-trien-3-ol', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 2772', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 2772', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Stirrup', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Stirrup', 'http://purl.obolibrary.org/obo/CHEBI_7524', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Nerolidol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7212-44-4', 'https://commonchemistry.cas.org/detail?cas_rn=7212-44-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7212-44-4', 'https://commonchemistry.cas.org/detail?cas_rn=7212-44-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'FCI 119b', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7212-44-4', 'https://commonchemistry.cas.org/detail?cas_rn=7212-44-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nerodilol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7212-44-4', 'https://commonchemistry.cas.org/detail?cas_rn=7212-44-4'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixedisomers||dimension=Environmental > media=Water > water_body=Unknown; cas=7212-44-4; added Common Chemistry CAS names as altLabel: (±)-Nerolidol, 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, FCI 119b, Nerodilol; object_uuid=fo-284f0b08b518bca0
cas_match_labels None {'7212-44-4': 'exactMatch'} group_key=3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixedisomers||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'7212-44-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-284f0b08b518bca0: {'7212-44-4': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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    "strata": "Ground level",
    "population_density": "Urban (>1000 people/square mile)"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.8077e-7
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