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Neral

UUID a5eb71e5-8baf-45ad-8310-b8f653a3b508
Flow Object IDfo-aeea2a8edc0c125f
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 106-26-3
EC Numbers 203-379-2
prefLabel ⓘ
Language Value Provenance
en Neral
altLabel ⓘ
Language Value Provenance
en (2Z)-3,7-dimethylocta-2,6-dienal
en Lemonal
en cis-Citral
en citral B
en (2<em>Z</em>)-3,7-Dimethyl-2,6-octadien-1-al
en (2<em>Z</em>)-3,7-Dimethyl-2,6-octadienal
en (<em>Z</em>)-3,7-Dimethyl-2,6-octadienal
en (<em>Z</em>)-Citral
en (<em>Z</em>)-Neral
en 2,6-Octadienal, 3,7-dimethyl-, (2<em>Z</em>)-
en 2,6-Octadienal, 3,7-dimethyl-, (<em>Z</em>)-
en 2-<em>cis</em>-3,7-Dimethyl-2,6-octadienal
en <em>cis</em>-3,7-Dimethyl-2,6-octadienal
en <em>cis</em>-Citral
en <em>cis</em>-Geranial
en Z-Citral
en β-Citral
Definitions
Language Value Provenance
en An enal that is 3,7-dimethyloctanal with unsaturation at positions C-2 and C-6. It has been isolated form the essential oils of plant species like lemon.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey WTEVQBCEXWBHNA-YFHOEESVSA-N
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
IUPAC name (2Z)-3,7-dimethylocta-2,6-dienal
Molecular formula C10H16O
Molecular mass 152.237
Monoisotopic mass 152.12012
SMILES CC(=CCC/C(=C\C=O)/C)C, CC(=CCCC(=CC=O)C)C, CC(C)=CCC/C(C)=CC=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 a5eb71e5-8baf-45ad-8310-b8f653a3b508 (z)-3,7-dimethylocta-2,6-dienal

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 (z)-3,7-dimethylocta-2,6-dienal 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 2 — consensus_match group_key=(z)-3,7-dimethylocta-2,6-dienal||dimension=Environmental > media=Water > water_body=Unknown; cas=106-26-3; added Common Chemistry CAS names as altLabel: (2<em>Z</em>)-3,7-Dimethyl-2,6-octadien-1-al, (2<em>Z</em>)-3,7-Dimethyl-2,6-octadienal, (<em>Z</em>)-3,7-Dimethyl-2,6-octadienal, (<em>Z</em>)-Citral, (<em>Z</em>)-Neral, 2,6-Octadienal, 3,7-dimethyl-, (2<em>Z</em>)-, 2,6-Octadienal, 3,7-dimethyl-, (<em>Z</em>)-, 2-<em>cis</em>-3,7-Dimethyl-2,6-octadienal, <em>cis</em>-3,7-Dimethyl-2,6-octadienal, <em>cis</em>-Citral, <em>cis</em>-Geranial, Z-Citral, β-Citral; object_uuid=fo-aeea2a8edc0c125f
cas_match_labels 1 — consensus_match group_key=(z)-3,7-dimethylocta-2,6-dienal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-26-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aeea2a8edc0c125f: {'106-26-3': 'exactMatch'}
prefLabel 1 — consensus_match cas=106-26-3; cc_chebi_agreed_name='Neral'; object_uuid=fo-aeea2a8edc0c125f

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '(z)-3,7-dimethylocta-2,6-dienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Neral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=106-26-3; cc_chebi_agreed_name='Neral'; object_uuid=fo-aeea2a8edc0c125f
altLabel [{'@value': '(2Z)-3,7-dimethylocta-2,6-dienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3,7-dimethylocta-2,6-dienal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Lemonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Lemonal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Neral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Neral', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Citral', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citral B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citral B', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2Z)-3,7-dimethylocta-2,6-dienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3,7-dimethylocta-2,6-dienal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Lemonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Lemonal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Citral', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citral B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citral B', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(z)-3,7-dimethylocta-2,6-dienal', '@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=106-26-3; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-aeea2a8edc0c125f
altLabel [{'@value': '(2Z)-3,7-dimethylocta-2,6-dienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3,7-dimethylocta-2,6-dienal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Lemonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Lemonal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Citral', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citral B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citral B', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(z)-3,7-dimethylocta-2,6-dienal', '@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': '(2Z)-3,7-dimethylocta-2,6-dienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-3,7-dimethylocta-2,6-dienal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Lemonal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Lemonal', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-Citral', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'citral B', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:citral B', 'http://purl.obolibrary.org/obo/CHEBI_29020', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2<em>Z</em>)-3,7-Dimethyl-2,6-octadien-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(2<em>Z</em>)-3,7-Dimethyl-2,6-octadienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-3,7-Dimethyl-2,6-octadienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-Neral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Octadienal, 3,7-dimethyl-, (2<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Octadienal, 3,7-dimethyl-, (<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-<em>cis</em>-3,7-Dimethyl-2,6-octadienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3,7-Dimethyl-2,6-octadienal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-Geranial', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Z-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Citral', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:106-26-3', 'https://commonchemistry.cas.org/detail?cas_rn=106-26-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=(z)-3,7-dimethylocta-2,6-dienal||dimension=Environmental > media=Water > water_body=Unknown; cas=106-26-3; added Common Chemistry CAS names as altLabel: (2<em>Z</em>)-3,7-Dimethyl-2,6-octadien-1-al, (2<em>Z</em>)-3,7-Dimethyl-2,6-octadienal, (<em>Z</em>)-3,7-Dimethyl-2,6-octadienal, (<em>Z</em>)-Citral, (<em>Z</em>)-Neral, 2,6-Octadienal, 3,7-dimethyl-, (2<em>Z</em>)-, 2,6-Octadienal, 3,7-dimethyl-, (<em>Z</em>)-, 2-<em>cis</em>-3,7-Dimethyl-2,6-octadienal, <em>cis</em>-3,7-Dimethyl-2,6-octadienal, <em>cis</em>-Citral, <em>cis</em>-Geranial, Z-Citral, β-Citral; object_uuid=fo-aeea2a8edc0c125f
cas_match_labels None {'106-26-3': 'exactMatch'} group_key=(z)-3,7-dimethylocta-2,6-dienal||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'106-26-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-aeea2a8edc0c125f: {'106-26-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "a5eb71e5-8baf-45ad-8310-b8f653a3b508",
  "name": null,
  "cas_numbers": [
    "106-26-3"
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  "ec_numbers": [
    "203-379-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Surface water"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1769.1
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "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": 1.2476e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 1.2476e-7
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1769.1
    }
  ],
  "source": "EF 3.1",
  "identifier": "a5eb71e5-8baf-45ad-8310-b8f653a3b508",
  "input_datasets": [
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
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      }
    }
  ],
  "prefLabel": [
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      "@value": "Neral",
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  "properties": {
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-"
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      "rdfs:label": "InChI",
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      "provenance": [
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