← Back to consensus flows

6,8-dimethylquinoline

UUID 8a0ff150-38a0-457c-8834-d96d30a1a5a2
Flow Object IDfo-8b4bee98d843a7b0
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 2436-93-3
EC Numbers 219-434-9
prefLabel
Language Value Provenance
en 6,8-dimethylquinoline
altLabel ⓘ
Language Value Provenance
en Quinoline, 6,8-dimethyl-
References
Shared Properties
Predicate Value
InChIKey BWQLKOVOMJYRIJ-UHFFFAOYSA-N, FLKLIBMSIJFKHS-UHFFFAOYSA-N, RLZSSWLXBLSQKI-UHFFFAOYSA-N, WXHBARFLTIZGFD-UHFFFAOYSA-N
InChI InChI=1S/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3, InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3, InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3, InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H
IUPAC name (2-bromo-4-nitro-phenyl)-butyl-amine, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride, 1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride, 1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride, 2-bromanyl-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitro-aniline, 2-bromo-N-butyl-4-nitroaniline, 2-bromobutyl-(4-nitrophenyl)amine, 6,8-dimethylquinoline, N-(2-bromanylbutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitro-aniline, N-(2-bromobutyl)-4-nitroaniline
Molecular formula C10H13BrN2O2, C11H11N, C18H24ClNO3
SMILES CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl, CC1=CC(=C2C(=C1)C=CC=N2)C, CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br, CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8a0ff150-38a0-457c-8834-d96d30a1a5a2 6,8-dimethylquinoline

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 6,8-dimethylquinoline Emissions/Emissions to water/Emissions to water, unspecified 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=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
cas_match_labels 1 — consensus_match group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Quinoline, 6,8-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2436-93-3', 'https://commonchemistry.cas.org/detail?cas_rn=2436-93-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=2436-93-3; added Common Chemistry CAS names as altLabel: Quinoline, 6,8-dimethyl-; object_uuid=fo-8b4bee98d843a7b0
cas_match_labels None {'2436-93-3': 'exactMatch'} group_key=6,8-dimethylquinoline||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2436-93-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b4bee98d843a7b0: {'2436-93-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "8a0ff150-38a0-457c-8834-d96d30a1a5a2",
  "name": null,
  "cas_numbers": [
    "2436-93-3"
  ],
  "ec_numbers": [
    "219-434-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "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": 27537.0
    },
    {
      "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": 27537.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "8a0ff150-38a0-457c-8834-d96d30a1a5a2",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "8a0ff150-38a0-457c-8834-d96d30a1a5a2",
      "source_flow_name": "6,8-dimethylquinoline",
      "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 water",
          "Emissions to water, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "6,8-dimethylquinoline",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H13BrN2O2",
        "C11H11N",
        "C18H24ClNO3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528",
          "CID:210565",
          "CID:43742378",
          "CID:71433001"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BWQLKOVOMJYRIJ-UHFFFAOYSA-N",
        "FLKLIBMSIJFKHS-UHFFFAOYSA-N",
        "RLZSSWLXBLSQKI-UHFFFAOYSA-N",
        "WXHBARFLTIZGFD-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528",
          "CID:210565",
          "CID:43742378",
          "CID:71433001"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)NCC(COC1=CC=CC=C1OC2=CC=CC=C2)O.Cl",
        "CC1=CC(=C2C(=C1)C=CC=N2)C",
        "CCC(CNC1=CC=C(C=C1)[N+](=O)[O-])Br",
        "CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])Br"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528",
          "CID:210565",
          "CID:43742378",
          "CID:71433001"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H13BrN2O2/c1-2-3-6-12-10-5-4-8(13(14)15)7-9(10)11/h4-5,7,12H,2-3,6H2,1H3",
        "InChI=1S/C10H13BrN2O2/c1-2-8(11)7-12-9-3-5-10(6-4-9)13(14)15/h3-6,8,12H,2,7H2,1H3",
        "InChI=1S/C11H11N/c1-8-6-9(2)11-10(7-8)4-3-5-12-11/h3-7H,1-2H3",
        "InChI=1S/C18H23NO3.ClH/c1-14(2)19-12-15(20)13-21-17-10-6-7-11-18(17)22-16-8-4-3-5-9-16;/h3-11,14-15,19-20H,12-13H2,1-2H3;1H"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528",
          "CID:210565",
          "CID:43742378",
          "CID:71433001"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "(2-bromo-4-nitro-phenyl)-butyl-amine",
        "1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)-2-propanol;hydrochloride",
        "1-(2-phenoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride",
        "1-(isopropylamino)-3-(2-phenoxyphenoxy)propan-2-ol;hydrochloride",
        "2-bromanyl-N-butyl-4-nitro-aniline",
        "2-bromo-N-butyl-4-nitro-aniline",
        "2-bromo-N-butyl-4-nitroaniline",
        "2-bromobutyl-(4-nitrophenyl)amine",
        "6,8-dimethylquinoline",
        "N-(2-bromanylbutyl)-4-nitro-aniline",
        "N-(2-bromobutyl)-4-nitro-aniline",
        "N-(2-bromobutyl)-4-nitroaniline"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528",
          "CID:210565",
          "CID:43742378",
          "CID:71433001"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J134.845K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.017.668",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=21299-86-5",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:210565;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2436-93-3",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID30870975",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID40943801",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:210565;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/210565",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:210565;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2436-93-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/43742378",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:43742378;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2436-93-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/71433001",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:71433001;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2436-93-3]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/75528",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2436-93-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82855124",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:75528;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q82920961",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:210565;CAS:2436-93-3"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2436-93-3]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Quinoline, 6,8-dimethyl-",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2436-93-3",
          "https://commonchemistry.cas.org/detail?cas_rn=2436-93-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "2436-93-3": "exactMatch"
  },
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/8a0ff150-38a0-457c-8834-d96d30a1a5a2",
        "skos:prefLabel": "6,8-dimethylquinoline",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:unit": "kg"
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/8a0ff150-38a0-457c-8834-d96d30a1a5a2"
      },
      "xkos:mapType": {
        "@id": "http://www.w3.org/2004/02/skos/core#exactMatch"
      },
      "provenance": {
        "prov:wasGeneratedBy": "build_concept_associations",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "https://eplca.jrc.ec.europa.eu/permalink/EF3_1/EF-v3.1.zip"
        ]
      }
    }
  ],
  "flow_object_id": "fo-8b4bee98d843a7b0"
}