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cis-3-HEXENYL ACETATE

UUID 9188c117-f4e8-48bf-863a-d6d312b215ed
Flow Object IDfo-7f7e29e436c1bbb7
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 3681-71-8
EC Numbers 222-960-1
prefLabel
Language Value Provenance
en cis-3-HEXENYL ACETATE
altLabel ⓘ
Language Value Provenance
en (3Z)-hex-3-en-1-yl acetate
en (Z)-3-hexen-1-yl acetate
en (Z)-3-hexenol acetate
en (Z)-3-hexenyl acetate
en (Z)-hex-3-enyl acetate
en 3Z-hexenyl acetate
en cis-3-hexen-1-yl acetate
en cis-3-hexenyl ethanoate
en (3<em>Z</em>)-Hexen-1-yl acetate
en (<em>Z</em>)-3-Hexen-1-ol acetate
en (<em>Z</em>)-3-Hexenyl acetate
en (<em>Z</em>)-Hex-3-en-1-yl acetate
en 3-Hexen-1-ol, 1-acetate, (3<em>Z</em>)-
en 3-Hexen-1-ol, acetate, (3<em>Z</em>)-
en 3-Hexen-1-ol, acetate, (<em>Z</em>)-
en 3<em>Z</em>-Hexen-1-ol acetate
en 3<em>Z</em>-Hexenyl acetate
en <em>cis</em>-3-Hexen-1-ol acetate
en <em>cis</em>-3-Hexenol acetate
en <em>cis</em>-3-Hexenyl acetate
en <em>cis</em>-3-Hexenyl ethanoate
en <em>cis</em>-Hex-3-en-1-yl acetate
en Leaf acetate
en [(z)-hex-3-enyl] Acetate
Definitions
Language Value Provenance
en An acetate ester that results from the formal condensation of acetic acid with (Z)-hex-3-en-1-ol.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NPFVOOAXDOBMCE-PLNGDYQASA-N
InChI InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-
IUPAC name [(Z)-hex-3-enyl] acetate, [(Z)-hex-3-enyl] ethanoate, acetic acid [(Z)-hex-3-enyl] ester
Molecular formula C8H14O2
Molecular mass 142.198
Monoisotopic mass 142.09938
SMILES CC/C=CCCOC(C)=O, CC/C=C\CCOC(=O)C, CCC=CCCOC(=O)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 9188c117-f4e8-48bf-863a-d6d312b215ed [(z)-hex-3-enyl] acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 [(z)-hex-3-enyl] acetate 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=[(z)-hex-3-enyl]acetate||dimension=Environmental > media=Water > water_body=Unknown; cas=3681-71-8; added Common Chemistry CAS names as altLabel: (3<em>Z</em>)-Hexen-1-yl acetate, (<em>Z</em>)-3-Hexen-1-ol acetate, (<em>Z</em>)-3-Hexenyl acetate, (<em>Z</em>)-Hex-3-en-1-yl acetate, 3-Hexen-1-ol, 1-acetate, (3<em>Z</em>)-, 3-Hexen-1-ol, acetate, (3<em>Z</em>)-, 3-Hexen-1-ol, acetate, (<em>Z</em>)-, 3<em>Z</em>-Hexen-1-ol acetate, 3<em>Z</em>-Hexenyl acetate, <em>cis</em>-3-Hexen-1-ol acetate, <em>cis</em>-3-Hexenol acetate, <em>cis</em>-3-Hexenyl acetate, <em>cis</em>-3-Hexenyl ethanoate, <em>cis</em>-Hex-3-en-1-yl acetate, Leaf acetate; object_uuid=fo-7f7e29e436c1bbb7
cas_match_labels 1 — consensus_match group_key=[(z)-hex-3-enyl]acetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3681-71-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f7e29e436c1bbb7: {'3681-71-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(3Z)-hex-3-en-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3Z)-hex-3-en-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexenol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexenol acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-hex-3-enyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-hex-3-enyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3Z-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3Z-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexenyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexenyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(3Z)-hex-3-en-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(3Z)-hex-3-en-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexenol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexenol acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-3-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-3-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-hex-3-enyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-hex-3-enyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3Z-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3Z-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexenyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cis-3-hexenyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cis-3-hexenyl ethanoate', 'http://purl.obolibrary.org/obo/CHEBI_61316', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3<em>Z</em>)-Hexen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-3-Hexen-1-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-3-Hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '(<em>Z</em>)-Hex-3-en-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Hexen-1-ol, 1-acetate, (3<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Hexen-1-ol, acetate, (3<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Hexen-1-ol, acetate, (<em>Z</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>Z</em>-Hexen-1-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3<em>Z</em>-Hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3-Hexen-1-ol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3-Hexenol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3-Hexenyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-3-Hexenyl ethanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>cis</em>-Hex-3-en-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Leaf acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:3681-71-8', 'https://commonchemistry.cas.org/detail?cas_rn=3681-71-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=[(z)-hex-3-enyl]acetate||dimension=Environmental > media=Water > water_body=Unknown; cas=3681-71-8; added Common Chemistry CAS names as altLabel: (3<em>Z</em>)-Hexen-1-yl acetate, (<em>Z</em>)-3-Hexen-1-ol acetate, (<em>Z</em>)-3-Hexenyl acetate, (<em>Z</em>)-Hex-3-en-1-yl acetate, 3-Hexen-1-ol, 1-acetate, (3<em>Z</em>)-, 3-Hexen-1-ol, acetate, (3<em>Z</em>)-, 3-Hexen-1-ol, acetate, (<em>Z</em>)-, 3<em>Z</em>-Hexen-1-ol acetate, 3<em>Z</em>-Hexenyl acetate, <em>cis</em>-3-Hexen-1-ol acetate, <em>cis</em>-3-Hexenol acetate, <em>cis</em>-3-Hexenyl acetate, <em>cis</em>-3-Hexenyl ethanoate, <em>cis</em>-Hex-3-en-1-yl acetate, Leaf acetate; object_uuid=fo-7f7e29e436c1bbb7
cas_match_labels None {'3681-71-8': 'exactMatch'} group_key=[(z)-hex-3-enyl]acetate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'3681-71-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-7f7e29e436c1bbb7: {'3681-71-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
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  "ec_numbers": [
    "222-960-1"
  ],
  "context": {
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    "media": "Water",
    "water_body": "Surface water"
  },
  "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": 607.24
    },
    {
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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": 3.4924e-9
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    {
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      "name": "Human toxicity, non-cancer_organics",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 3.4924e-9
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 607.24
    }
  ],
  "source": "EF 3.1",
  "identifier": "9188c117-f4e8-48bf-863a-d6d312b215ed",
  "input_datasets": [
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      "source_flow_name": "[(z)-hex-3-enyl] acetate",
      "source_metadata": {
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        "original_context": [
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          "Emissions to water",
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      "rdfs:label": "Molecular formula",
      "provenance": [
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      ],
      "rdfs:label": "InChI",
      "provenance": [
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