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Dinocap

UUID 2ccf20f9-c48b-47e1-8e17-83a97301d993
Flow Object IDfo-dfad3041627a565e
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 39300-45-3
EC Numbers 254-408-0
prefLabel
Language Value Provenance
en Dinocap
altLabel
Language Value Provenance
en 2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester
en Caprane
en Carathane
en Crotothane
en DPC
en DPC (pesticide)
en Dicap
en Karathane
en Karathane 25
en Karathane FN 57
en Karathane LC
en Mildex
References
Shared Properties
Predicate Value
InChIKey AFYIFJXNVMNPLD-URCMJFOTSA-N, CJODAJKFLVIKHL-UHFFFAOYSA-N, CJODAJKFLVIKHL-XBXARRHUSA-N, HBAUNJPHCPXWNK-WEVVVXLNSA-N, NIOPZPCMRQGZCE-UHFFFAOYSA-N, NIOPZPCMRQGZCE-UITAMQMPSA-N, NIOPZPCMRQGZCE-WEVVVXLNSA-N, SPFTUJJHNQXNEY-UHFFFAOYSA-N, ZVJZHLVSRSKTNE-OPIVVEOKSA-N
InChI InChI=1S/2C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25;1-4-8-17(21)26-18-15(19(22)23)11-14(12-16(18)20(24)25)10-7-5-6-9-13(2)3/h2*4,8,11-13H,5-7,9-10H2,1-3H3/b2*8-4+, InChI=1S/C10H9NO4.C8H18.HNO2/c1-2-5-10(12)15-9-7-4-3-6-8(9)11(13)14;1-3-5-7-8-6-4-2;2-1-3/h2-7H,1H3;3-8H2,1-2H3;(H,2,3)/b5-2+;;, InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)18(16(13-14)20(24)25)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3, InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3, InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+, InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5-, InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(20(24)25)12-19(18(22)23)17(15)26-16(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+, InChI=1S/C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25/h4,8,11-13H,5-7,9-10H2,1-3H3, InChI=1S/C18H24N2O6/c1-4-8-17(21)26-18-14(10-7-5-6-9-13(2)3)11-15(19(22)23)12-16(18)20(24)25/h4,8,11-13H,5-7,9-10H2,1-3H3/b8-4+
IUPAC name (2,4-dinitro-6-octan-2-yl-phenyl) (E)-but-2-enoate, (2,4-dinitro-6-octan-2-yl-phenyl) (Z)-but-2-enoate, (2,4-dinitro-6-octan-2-yl-phenyl) but-2-enoate, (2,4-dinitro-6-octan-2-ylphenyl) (E)-but-2-enoate, (2,4-dinitro-6-octan-2-ylphenyl) (Z)-but-2-enoate, (2,4-dinitro-6-octan-2-ylphenyl) but-2-enoate, (2,6-dinitro-4-octyl-phenyl) but-2-enoate, (2,6-dinitro-4-octylphenyl) but-2-enoate, (2-nitrophenyl) (E)-but-2-enoate;nitrous acid;octane, (E)-2-butenoic acid (2,4-dinitro-6-octan-2-ylphenyl) ester, (E)-2-butenoic acid (2-nitrophenyl) ester;nitrous acid;octane, (E)-2-butenoic acid [2-(6-methylheptyl)-4,6-dinitrophenyl] ester, (E)-2-butenoic acid [2-(6-methylheptyl)-4,6-dinitrophenyl] ester;(E)-2-butenoic acid [4-(6-methylheptyl)-2,6-dinitrophenyl] ester, (E)-but-2-enoic acid (2-nitrophenyl) ester;nitrous acid;n-octane, (E)-but-2-enoic acid [2-(1-methylheptyl)-4,6-dinitro-phenyl] ester, (E)-but-2-enoic acid [2-(6-methylheptyl)-4,6-dinitro-phenyl] ester, (E)-but-2-enoic acid [2-(6-methylheptyl)-4,6-dinitro-phenyl] ester;(E)-but-2-enoic acid [4-(6-methylheptyl)-2,6-dinitro-phenyl] ester, (Z)-2-butenoic acid (2,4-dinitro-6-octan-2-ylphenyl) ester, (Z)-but-2-enoic acid [2-(1-methylheptyl)-4,6-dinitro-phenyl] ester, 2-[(E)-but-2-enoyl]oxy-3-(1-methylheptyl)-5-nitro-pyridin-1-ium-1-carboxylate, 2-[(E)-but-2-enoyl]oxy-5-nitro-3-octan-2-yl-pyridin-1-ium-1-carboxylate, 2-[(E)-but-2-enoyl]oxy-5-nitro-3-octan-2-ylpyridin-1-ium-1-carboxylate, 2-butenoic acid (2,4-dinitro-6-octan-2-ylphenyl) ester, 2-butenoic acid (2,6-dinitro-4-octylphenyl) ester, 2-butenoic acid [2-(6-methylheptyl)-4,6-dinitrophenyl] ester, 5-nitro-3-octan-2-yl-2-[(E)-1-oxobut-2-enoxy]-1-pyridin-1-iumcarboxylate, [2-(1-methylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate, [2-(1-methylheptyl)-4,6-dinitro-phenyl] (Z)-but-2-enoate, [2-(1-methylheptyl)-4,6-dinitro-phenyl] but-2-enoate, [2-(6-methylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate, [2-(6-methylheptyl)-4,6-dinitro-phenyl] (E)-but-2-enoate;[4-(6-methylheptyl)-2,6-dinitro-phenyl] (E)-but-2-enoate, [2-(6-methylheptyl)-4,6-dinitro-phenyl] but-2-enoate, [2-(6-methylheptyl)-4,6-dinitrophenyl] (E)-but-2-enoate, [2-(6-methylheptyl)-4,6-dinitrophenyl] (E)-but-2-enoate;[4-(6-methylheptyl)-2,6-dinitrophenyl] (E)-but-2-enoate, [2-(6-methylheptyl)-4,6-dinitrophenyl] but-2-enoate, but-2-enoic acid (2,6-dinitro-4-octyl-phenyl) ester, but-2-enoic acid [2-(1-methylheptyl)-4,6-dinitro-phenyl] ester, but-2-enoic acid [2-(6-methylheptyl)-4,6-dinitro-phenyl] ester
Molecular formula C18H24N2O6, C18H28N2O6, C36H48N4O12
SMILES C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-].C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C, C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C, CC=CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-].CC=CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C, CC=CC(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C, CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C/C, CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)/C=C\C, CCCCCCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC, CCCCCCC(C)C1=C([N+](=CC(=C1)[N+](=O)[O-])C(=O)[O-])OC(=O)/C=C/C, CCCCCCC(C)C1=C([N+](=CC(=C1)[N+](=O)[O-])C(=O)[O-])OC(=O)C=CC, CCCCCCCC.C/C=C/C(=O)OC1=CC=CC=C1[N+](=O)[O-].N(=O)O, CCCCCCCC.CC=CC(=O)OC1=CC=CC=C1[N+](=O)[O-].N(=O)O, CCCCCCCCC1=CC(=C(C(=C1)[N+](=O)[O-])OC(=O)C=CC)[N+](=O)[O-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 2ccf20f9-c48b-47e1-8e17-83a97301d993 dinocap

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 dinocap 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 1 consensus_match group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; cas=39300-45-3; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester, Caprane, Carathane, Crotothane, DPC, DPC (pesticide), Dicap, Karathane, Karathane 25, Karathane FN 57, Karathane LC, Mildex; object_uuid=fo-dfad3041627a565e
cas_match_labels 1 consensus_match group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'39300-45-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfad3041627a565e: {'39300-45-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Caprane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Carathane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crotothane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DPC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DPC (pesticide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dicap', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Karathane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Karathane 25', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Karathane FN 57', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Karathane LC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mildex', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:39300-45-3', 'https://commonchemistry.cas.org/detail?cas_rn=39300-45-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; cas=39300-45-3; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester, Caprane, Carathane, Crotothane, DPC, DPC (pesticide), Dicap, Karathane, Karathane 25, Karathane FN 57, Karathane LC, Mildex; object_uuid=fo-dfad3041627a565e
cas_match_labels None {'39300-45-3': 'exactMatch'} group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'39300-45-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfad3041627a565e: {'39300-45-3': '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": [
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  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": "Correct mapping CAS and flow to be verified, potentially wrong. Note that the CAS No is the relevant identifier, to which also the ILCD LCIA characterisation factors relate. Reference elementary flow of the International Reference Life Cycle Data System (ILCD).",
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1614.9
    },
    {
      "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": 8.4002e-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": 8.4002e-7
    },
    {
      "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": 1614.9
    }
  ],
  "source": "EF 3.1",
  "identifier": "2ccf20f9-c48b-47e1-8e17-83a97301d993",
  "input_datasets": [
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      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
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    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C18H24N2O6",
        "C18H28N2O6",
        "C36H48N4O12"
      ],
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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        "CCCCCCC(C)C1=C([N+](=CC(=C1)[N+](=O)[O-])C(=O)[O-])OC(=O)/C=C/C",
        "CCCCCCC(C)C1=C([N+](=CC(=C1)[N+](=O)[O-])C(=O)[O-])OC(=O)C=CC",
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