Consensus flow list

2-(2-butoxyethoxy)ethyl Thiocyanate

d901799e-da8e-4be1-9886-18b8f95fa023

Identity

Substance
fo-729e737a5808046f Neutral molecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
112-56-1
EC
203-985-7

Context

Dimension
Environmental
Media
Water
Water body
Unknown

Alternative labels

7

Source lists

1
List Version Source flow Name there Why this flow
EF 3.1 d901799e-da8e-4be1-9886-18b8f95fa023 2-(2-butoxyethoxy)ethyl thiocyanate The consensus list is built from this one, so this row is the flow itself rather than something matched to it.

Concept associations

1
Source list Source flow Name there Compartment there Match Conversion
EF 3.1 d901799e-da8e-4be1-9886-18b8f95fa023 2-(2-butoxyethoxy)ethyl thiocyanate Emissions/Emissions to water/Emissions to water, unspecified exactMatch —

Characterisation factors

4

Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.

Method Implementation Category Place Factor Published as
EF 3.1 European Commission — JRC Ecotoxicity, freshwater — 11,651 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater — 11,651 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics — 11,651 —
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics — 11,651 sole

This flow in the difference report

History

The change log and the PROV-O trail (2 consensus changes)

Open the changes page

These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.

Full record

Flow JSON 
{
  "altLabel": [
    {
      "@value": "1-(2-(2-Thiocyanatoethoxy)ethoxy)butane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Butoxy-2-(2-thiocyanoethoxy)ethane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,6-Dioxadecyl thiocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyl carbitol rhodanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butyl carbitol thiocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lethane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-56-1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-56-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H17NO2S"
      ],
      "attested_by": {
        "C9H17NO2S": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:8196"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "JVGPVVUTUMQJKL-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "JVGPVVUTUMQJKL-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:8196"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCOCCOCCSC#N"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-(2-butoxyethoxy)ethyl Thiocyanate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ],
      "attested_by": {
        "CCCCOCCOCCSC#N": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "2-(2-butoxyethoxy)ethyl Thiocyanate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "2-(2-butoxyethoxy)ethyl Thiocyanate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2-(2-butoxyethoxy)ethyl Thiocyanate"
        ]
      },
      "attested_by": {
        "2-(2-butoxyethoxy)ethyl Thiocyanate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        203.307
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ],
      "attested_by": {
        "203.307": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        203.098
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCOCCOCCSC#N"
          ]
        }
      ],
      "attested_by": {
        "203.098": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.128D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.003.623",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=112-56-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "112-56-1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID6024674",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3534",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z8ANL9B54I",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/8196",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[112-56-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/erg/#2810",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018417",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1867205",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27295138",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:8196;CAS:112-56-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[112-56-1]"
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-(2-butoxyethoxy)ethyl Thiocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://www.w3.org/2004/02/skos/core#definition": [],
  "uuid": "d901799e-da8e-4be1-9886-18b8f95fa023",
  "identifier": "d901799e-da8e-4be1-9886-18b8f95fa023",
  "source": "EF 3.1",
  "cas_numbers": [
    "112-56-1"
  ],
  "ec_numbers": [
    "203-985-7"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "synonyms": [],
  "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": 11651.0
    },
    {
      "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": 11651.0
    }
  ],
  "unit": "kg",
  "input_datasets": [
    "EF 3.1"
  ],
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-729e737a5808046f",
  "concept_associations": [
    {
      "@type": "xkos:ConceptAssociation",
      "xkos:sourceConcept": {
        "@id": "https://vocab.brightway.one/ef/3.1/flow/d901799e-da8e-4be1-9886-18b8f95fa023",
        "skos:prefLabel": "2-(2-butoxyethoxy)ethyl thiocyanate",
        "context": "Emissions/Emissions to water/Emissions to water, unspecified",
        "qudt:hasUnit": {
          "@id": "https://vocab.brightway.one/units/unit/KiloGM"
        },
        "skos:exactMatch": {
          "@id": "https://vocab.brightway.dev/elementary-flows/d901799e-da8e-4be1-9886-18b8f95fa023"
        }
      },
      "xkos:targetConcept": {
        "@id": "https://vocab.brightway.dev/elementary-flows/d901799e-da8e-4be1-9886-18b8f95fa023"
      },
      "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"
        ]
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "normalise_property_values",
    "skos_definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "strip_catalogue_altlabels",
    "cas_match_labels": "consensus_match",
    "concept_associations": "carry_associations_onto_flows",
    "types": "link_flows_to_their_substance"
  },
  "cas_match_labels": {
    "112-56-1": "exactMatch"
  },
  "_transformed": true,
  "_provided": {
    "name": "2-(2-butoxyethoxy)ethyl thiocyanate",
    "synonyms": [
      ".beta.-Butoxy-.beta.'-thiocyanodiethyl ether",
      "1-Butoxy-2-(2-thiocyanoethoxy)ethane",
      "1-Butoxy-alpha-(2-thiocyanoethoxy)ethane",
      "2-(2-(Butoxy)ethoxy) ester of thiocyanic acid",
      "2-(2-(Butoxy)ethoxy)ethyl thiocyanic acid ester",
      "2-(2-BUTOXYETHOXY)-ETHYL THIOCYANATE",
      "2-(2-Butoxyethoxy)ethyl ester of thiocyanic acid",
      "2-(2-Butoxyethoxy)ethylthiocyanate",
      "2-(2-Butoxyethoxy)ethylthiokyanat",
      "2-Butoxy-2'-thiocyanodiethyl ether",
      "2-[2-(Butoxy)ethoxy]ethyl thiocyanic acid ester",
      "AC1L1QHD",
      "AC1Q2XKS",
      "Butoxyrhodanodiethyl ether",
      "Butyl carbitol rhodanate",
      "Butyl carbitol thiocyanate",
      "ENT 6",
      "Ethane, 1-butoxy-2-(2-thiocyanatoethoxy)-",
      "Ethanol, 2-(2-butoxyethoxy)-, thiocyanate",
      "LETHANE 384",
      "Lethane",
      "Lethane 384 regular",
      "Lethane 384 special (use 2 code nos. 010002 and 010101)",
      "Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester",
      "beta-Butoxy beta'-thiocyano diethyl ether",
      "beta-Butoxy-beta'-thiocyano diethyl ether",
      "beta-Butoxy-beta'-thiocyanodiethyl ether"
    ],
    "context": [
      "Emissions",
      "Emissions to water",
      "Emissions to water, unspecified"
    ],
    "cas_numbers": [
      "112-56-1"
    ],
    "ec_numbers": [
      "203-985-7"
    ],
    "unit": "kg"
  }
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.