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Hydroxycitronellal

UUID 73c2676b-c273-46df-81a4-4c662aac5f00
Flow Object IDfo-2128cbb83bd0b848
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 107-75-5
EC Numbers 203-518-7
prefLabel ⓘ
Language Value Provenance
en Hydroxycitronellal
altLabel ⓘ
Language Value Provenance
en 3,7-Dimethyl-7-hydroxyoctanal
en 3,7-dimethyl-7-hydroxyoctan-1-al
en 7-hydroxycitronellal
en Citronellal hydrate
en hydroxy citronellal
en (±)-Hydroxycitronellal
en 7-Hydroxy-3,7-dimethyloctanal
en Citronellal, hydroxy-
en Cyclalia
en Cyclosia
en Cyclosia base
en Fixol
en Laurine
en Lilyl aldehyde
en Muguet synthetic
en Muguettine principle
en NSC 406740
en Octanal, 7-hydroxy-3,7-dimethyl-
en Phixia
Definitions
Language Value Provenance
en The tertiary alcohol arising from addition of water across the C=C double bond of citronellal.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey WPFVBOQKRVRMJB-UHFFFAOYSA-N
InChI InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
IUPAC name 3,7-dimethyl-7-oxidanyl-octanal, 7-hydroxy-3,7-dimethyl-caprylaldehyde, 7-hydroxy-3,7-dimethyl-octanal, 7-hydroxy-3,7-dimethyloctanal
Molecular formula C10H20O2
Molecular mass 172.268
Monoisotopic mass 172.14633
SMILES CC(CCCC(C)(C)O)CC=O, [H]C(=O)CC(C)CCCC(C)(C)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 73c2676b-c273-46df-81a4-4c662aac5f00 7-hydroxy-3,7-dimethyloctanal

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 7-hydroxy-3,7-dimethyloctanal Emissions/Emissions to soil/Emissions to agricultural soil 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=7-hydroxy-3,7-dimethyloctanal||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=107-75-5; added Common Chemistry CAS names as altLabel: (±)-Hydroxycitronellal, 7-Hydroxy-3,7-dimethyloctanal, Citronellal, hydroxy-, Cyclalia, Cyclosia, Cyclosia base, Fixol, Laurine, Lilyl aldehyde, Muguet synthetic, Muguettine principle, NSC 406740, Octanal, 7-hydroxy-3,7-dimethyl-, Phixia; object_uuid=fo-2128cbb83bd0b848
cas_match_labels 1 — consensus_match group_key=7-hydroxy-3,7-dimethyloctanal||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2128cbb83bd0b848: {'107-75-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=107-75-5; cc_chebi_agreed_name='Hydroxycitronellal'; object_uuid=fo-2128cbb83bd0b848

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '7-hydroxy-3,7-dimethyloctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=107-75-5; cc_chebi_agreed_name='Hydroxycitronellal'; object_uuid=fo-2128cbb83bd0b848
altLabel [{'@value': '3,7-Dimethyl-7-hydroxyoctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-7-hydroxyoctanal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethyl-7-hydroxyoctan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-dimethyl-7-hydroxyoctan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-hydroxycitronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Citronellal hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Citronellal hydrate', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hydroxy citronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hydroxy citronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '3,7-Dimethyl-7-hydroxyoctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-7-hydroxyoctanal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethyl-7-hydroxyoctan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-dimethyl-7-hydroxyoctan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-hydroxycitronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Citronellal hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Citronellal hydrate', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hydroxy citronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hydroxy citronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxy-3,7-dimethyloctanal', '@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=107-75-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-2128cbb83bd0b848
altLabel [{'@value': '3,7-Dimethyl-7-hydroxyoctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-7-hydroxyoctanal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethyl-7-hydroxyoctan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-dimethyl-7-hydroxyoctan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-hydroxycitronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Citronellal hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Citronellal hydrate', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hydroxy citronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hydroxy citronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxy-3,7-dimethyloctanal', '@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-Dimethyl-7-hydroxyoctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-Dimethyl-7-hydroxyoctanal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3,7-dimethyl-7-hydroxyoctan-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3,7-dimethyl-7-hydroxyoctan-1-al', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '7-hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:7-hydroxycitronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Citronellal hydrate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Citronellal hydrate', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hydroxy citronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hydroxy citronellal', 'http://purl.obolibrary.org/obo/CHEBI_53459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Hydroxycitronellal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '7-Hydroxy-3,7-dimethyloctanal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Citronellal, hydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclalia', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclosia', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclosia base', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fixol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Laurine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Lilyl aldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Muguet synthetic', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Muguettine principle', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 406740', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octanal, 7-hydroxy-3,7-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phixia', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:107-75-5', 'https://commonchemistry.cas.org/detail?cas_rn=107-75-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=7-hydroxy-3,7-dimethyloctanal||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=107-75-5; added Common Chemistry CAS names as altLabel: (±)-Hydroxycitronellal, 7-Hydroxy-3,7-dimethyloctanal, Citronellal, hydroxy-, Cyclalia, Cyclosia, Cyclosia base, Fixol, Laurine, Lilyl aldehyde, Muguet synthetic, Muguettine principle, NSC 406740, Octanal, 7-hydroxy-3,7-dimethyl-, Phixia; object_uuid=fo-2128cbb83bd0b848
cas_match_labels None {'107-75-5': 'exactMatch'} group_key=7-hydroxy-3,7-dimethyloctanal||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'107-75-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2128cbb83bd0b848: {'107-75-5': '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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    "media": "Ground",
    "geography": "Agricultural"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 137.95
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    {
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      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.9501e-7
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    {
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.9501e-7
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  "source": "EF 3.1",
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          "Emissions to soil",
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