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Capric dimethyl amine oxide

UUID 39b3f4b6-0582-4ada-8ffd-a04e75e54fa6
Flow Object IDfo-9349e66ec5635306
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 2605-79-0
EC Numbers 220-020-5
prefLabel
Language Value Provenance
en Capric dimethyl amine oxide
altLabel ⓘ
Language Value Provenance
en Decyl dimethyl amine oxide
en Decylamine oxide
en N,N-Dimethyl-1-decanamine-N-oxide
en N,N-dimethyldecylamine N-oxide
en 1-Decanamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide
en <em>N</em>,<em>N</em>-Dimethyl decyl amine oxide
en <em>N</em>,<em>N</em>-Dimethyl-1-decanamine oxide
en <em>N</em>,<em>N</em>-Dimethyl-<em>N</em>-decylamine <em>N</em>-oxide
en <em>N</em>,<em>N</em>-Dimethyl-<em>n</em>-decylamine oxide
en <em>N</em>-Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide
en Ammonyx C 10
en Ammonyx DO
en Ammonyx DO 40
en Ammonyx DO-C 10
en Amphitol 10N
en Aromox DM 10DW
en Barlox 10S
en Cadenax DM 10DW
en Decamine oxide
en Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide
en Decylamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide
en Decyldimethylamine <em>N</em>-oxide
en Decyldimethylamine oxide
en Dimethyl decylamine oxide
en Euroxide DO 40
en Genaminox DC 40
en Genaminox K 10
en Macat AO 10
en Mackamine 065
en Mackamine 654
en Tegotens DO
en Tegotens DO 40
en Decyl(dimethyl)amine Oxide
Definitions
Language Value Provenance
en A tertiary amine oxide that is the N-oxide of N,N-dimethyldecan-1-amine.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey ZRKZFNZPJKEWPC-UHFFFAOYSA-N
InChI InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h4-12H2,1-3H3
IUPAC name N,N-dimethyl-1-decanamine oxide, N,N-dimethyldecan-1-amine oxide
Molecular formula C12H27NO
Molecular mass 201.354
Monoisotopic mass 201.20926
SMILES CCCCCCCCCC[N+](C)(C)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 39b3f4b6-0582-4ada-8ffd-a04e75e54fa6 decyl(dimethyl)amine oxide

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 decyl(dimethyl)amine oxide Emissions/Emissions to water/Emissions to sea 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=decyl(dimethyl)amineoxide||dimension=Environmental > media=Air > strata=Unknown; cas=2605-79-0; added Common Chemistry CAS names as altLabel: 1-Decanamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide, <em>N</em>,<em>N</em>-Dimethyl decyl amine oxide, <em>N</em>,<em>N</em>-Dimethyl-1-decanamine oxide, <em>N</em>,<em>N</em>-Dimethyl-<em>N</em>-decylamine <em>N</em>-oxide, <em>N</em>,<em>N</em>-Dimethyl-<em>n</em>-decylamine oxide, <em>N</em>-Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide, Ammonyx C 10, Ammonyx DO, Ammonyx DO 40, Ammonyx DO-C 10, Amphitol 10N, Aromox DM 10DW, Barlox 10S, Cadenax DM 10DW, Decamine oxide, Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide, Decylamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide, Decyldimethylamine <em>N</em>-oxide, Decyldimethylamine oxide, Dimethyl decylamine oxide, Euroxide DO 40, Genaminox DC 40, Genaminox K 10, Macat AO 10, Mackamine 065, Mackamine 654, Tegotens DO, Tegotens DO 40; object_uuid=fo-9349e66ec5635306
cas_match_labels 1 — consensus_match group_key=decyl(dimethyl)amineoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2605-79-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9349e66ec5635306: {'2605-79-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'Capric dimethyl amine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Capric dimethyl amine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Decyl dimethyl amine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Decyl dimethyl amine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Decylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Decylamine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-Dimethyl-1-decanamine-N-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-Dimethyl-1-decanamine-N-oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-dimethyldecylamine N-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-dimethyldecylamine N-oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Capric dimethyl amine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Capric dimethyl amine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Decyl dimethyl amine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Decyl dimethyl amine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Decylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Decylamine oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-Dimethyl-1-decanamine-N-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-Dimethyl-1-decanamine-N-oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'N,N-dimethyldecylamine N-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:N,N-dimethyldecylamine N-oxide', 'http://purl.obolibrary.org/obo/CHEBI_41899', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Decanamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>-Dimethyl decyl amine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>-Dimethyl-1-decanamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>-Dimethyl-<em>N</em>-decylamine <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>,<em>N</em>-Dimethyl-<em>n</em>-decylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>N</em>-Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonyx C 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonyx DO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonyx DO 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ammonyx DO-C 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Amphitol 10N', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aromox DM 10DW', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Barlox 10S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cadenax DM 10DW', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Decamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Decylamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Decyldimethylamine <em>N</em>-oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Decyldimethylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dimethyl decylamine oxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Euroxide DO 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Genaminox DC 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Genaminox K 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Macat AO 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mackamine 065', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mackamine 654', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tegotens DO', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tegotens DO 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2605-79-0', 'https://commonchemistry.cas.org/detail?cas_rn=2605-79-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=decyl(dimethyl)amineoxide||dimension=Environmental > media=Air > strata=Unknown; cas=2605-79-0; added Common Chemistry CAS names as altLabel: 1-Decanamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide, <em>N</em>,<em>N</em>-Dimethyl decyl amine oxide, <em>N</em>,<em>N</em>-Dimethyl-1-decanamine oxide, <em>N</em>,<em>N</em>-Dimethyl-<em>N</em>-decylamine <em>N</em>-oxide, <em>N</em>,<em>N</em>-Dimethyl-<em>n</em>-decylamine oxide, <em>N</em>-Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide, Ammonyx C 10, Ammonyx DO, Ammonyx DO 40, Ammonyx DO-C 10, Amphitol 10N, Aromox DM 10DW, Barlox 10S, Cadenax DM 10DW, Decamine oxide, Decyl-<em>N</em>,<em>N</em>-dimethylamine oxide, Decylamine, <em>N</em>,<em>N</em>-dimethyl-, <em>N</em>-oxide, Decyldimethylamine <em>N</em>-oxide, Decyldimethylamine oxide, Dimethyl decylamine oxide, Euroxide DO 40, Genaminox DC 40, Genaminox K 10, Macat AO 10, Mackamine 065, Mackamine 654, Tegotens DO, Tegotens DO 40; object_uuid=fo-9349e66ec5635306
cas_match_labels None {'2605-79-0': 'exactMatch'} group_key=decyl(dimethyl)amineoxide||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'2605-79-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-9349e66ec5635306: {'2605-79-0': '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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  "context": {
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    "media": "Water",
    "water_body": "Ocean"
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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": 3.6075e-7
    },
    {
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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": 1.1964e-8
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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": 1.1964e-8
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3.6075e-7
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  "source": "EF 3.1",
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  "properties": {
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      "rdfs:label": "Molecular formula",
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