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2-Ethyl-3-propylacrolein

UUID 8ee1d4de-13c8-4dc5-88f7-d2c5e12698ab
Flow Object IDfo-cfd6625ced07dd0d
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 645-62-5
EC Numbers 211-448-3
prefLabel ⓘ
Language Value Provenance
en 2-Ethyl-3-propylacrolein
altLabel ⓘ
Language Value Provenance
en 2-ethyl-2-hexen-1-al
en 2-ethyl-3-propylacrylaldehyde
en 2-ethylhex-2-en-1-al
en 2-ethylhexenal
en 3-formylhept-3-ene
en FEMA 4612
en alpha-ethyl-2-hexenal
en alpha-ethyl-beta-propylacrolein
en 2-Hexenal, 2-ethyl-
en CKB 1364
en NSC 4787
en α-Ethyl-2-hexenal
en α-Ethyl-β-propylacrolein
en 2-Ethyl-2-hexenal
Definitions
Language Value Provenance
en A monounsaturated fatty aldehyde that is hex-2-enal substituted by an ethyl group at position 2.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PYLMCYQHBRSDND-SOFGYWHQSA-N, PYLMCYQHBRSDND-UHFFFAOYSA-N
InChI InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3, InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
IUPAC name (E)-2-ethyl-2-hexenal, (E)-2-ethylhex-2-enal
Molecular formula C8H14O
Molecular mass 126.199
Monoisotopic mass 126.10447
SMILES CCC/C=C(\CC)/C=O, CCCC=C(CC)C=O, [H]C(=O)C(CC)=C([H])CCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8ee1d4de-13c8-4dc5-88f7-d2c5e12698ab 2-ethylhex-2-enal

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-ethylhex-2-enal Emissions/Emissions to air/Emissions to air, unspecified 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=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=645-62-5; added Common Chemistry CAS names as altLabel: 2-Hexenal, 2-ethyl-, CKB 1364, NSC 4787, α-Ethyl-2-hexenal, α-Ethyl-β-propylacrolein; object_uuid=fo-cfd6625ced07dd0d
cas_match_labels 1 — consensus_match group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'645-62-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cfd6625ced07dd0d: {'645-62-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=645-62-5; cc_chebi_agreed_name='2-Ethyl-2-hexenal'; object_uuid=fo-cfd6625ced07dd0d

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '2-ethylhex-2-enal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '2-Ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=645-62-5; cc_chebi_agreed_name='2-Ethyl-2-hexenal'; object_uuid=fo-cfd6625ced07dd0d
altLabel [{'@value': '2-ethyl-2-hexen-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-2-hexen-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-en-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhex-2-en-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylhept-3-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylhept-3-ene', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 4612', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 4612', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-2-hexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-beta-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-beta-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-ethyl-2-hexen-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-2-hexen-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-en-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhex-2-en-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylhept-3-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylhept-3-ene', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 4612', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 4612', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-2-hexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-beta-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-beta-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-enal', '@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=645-62-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-cfd6625ced07dd0d
altLabel [{'@value': '2-ethyl-2-hexen-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-2-hexen-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-en-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhex-2-en-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylhept-3-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylhept-3-ene', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 4612', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 4612', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-2-hexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-beta-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-beta-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-enal', '@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': '2-ethyl-2-hexen-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-2-hexen-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethyl-3-propylacrylaldehyde', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethyl-3-propylacrylaldehyde', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhex-2-en-1-al', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhex-2-en-1-al', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-ethylhexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ethylhexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-formylhept-3-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-formylhept-3-ene', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'FEMA 4612', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:FEMA 4612', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-2-hexenal', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'alpha-ethyl-beta-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:alpha-ethyl-beta-propylacrolein', 'http://purl.obolibrary.org/obo/CHEBI_88838', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-Hexenal, 2-ethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5', 'https://commonchemistry.cas.org/detail?cas_rn=645-62-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CKB 1364', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5', 'https://commonchemistry.cas.org/detail?cas_rn=645-62-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4787', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5', 'https://commonchemistry.cas.org/detail?cas_rn=645-62-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethyl-2-hexenal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5', 'https://commonchemistry.cas.org/detail?cas_rn=645-62-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Ethyl-β-propylacrolein', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:645-62-5', 'https://commonchemistry.cas.org/detail?cas_rn=645-62-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=645-62-5; added Common Chemistry CAS names as altLabel: 2-Hexenal, 2-ethyl-, CKB 1364, NSC 4787, α-Ethyl-2-hexenal, α-Ethyl-β-propylacrolein; object_uuid=fo-cfd6625ced07dd0d
cas_match_labels None {'645-62-5': 'exactMatch'} group_key=2-ethylhex-2-enal||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'645-62-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-cfd6625ced07dd0d: {'645-62-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8ee1d4de-13c8-4dc5-88f7-d2c5e12698ab",
  "name": null,
  "cas_numbers": [
    "645-62-5"
  ],
  "ec_numbers": [
    "211-448-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "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": 0.32827
    },
    {
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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": 0.32827
    }
  ],
  "source": "EF 3.1",
  "identifier": "8ee1d4de-13c8-4dc5-88f7-d2c5e12698ab",
  "input_datasets": [
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      "source_flow_name": "2-ethylhex-2-enal",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air, unspecified"
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      }
    }
  ],
  "prefLabel": [
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      "source": {
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  "_sources": {
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    "references": "enrich_references",
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    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-unkn",
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H14O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      "rdfs:label": "SMILES",
      "provenance": [
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