Consensus flow list

Identity

Substance
fo-dd76aefc5af8e420 NeutralMolecule
Source
EF 3.1
Unit
kg
Context
Environmental → Water → Unknown
CAS
621-29-4
EC
210-676-0

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 c9d2eefd-05e4-422d-8bc1-e565cc8baf78 1-isocyanato-3-methylbenzene 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 c9d2eefd-05e4-422d-8bc1-e565cc8baf78 1-isocyanato-3-methylbenzene 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 56,351
EF 3.1 consensus-flow-list Ecotoxicity, freshwater 56,351 sole
EF 3.1 European Commission — JRC Ecotoxicity, freshwater_organics 56,351
EF 3.1 consensus-flow-list Ecotoxicity, freshwater_organics 56,351 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": "3-Methylphenyl isocyanate",
      "@language": "en",
      "source": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Tolyl isocyanate",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Isocyanatotoluene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=621-29-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Methylphenyl isocyanate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Tolyl isocyanate",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-isocyanato-3-methyl-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isocyanic acid, m-tolyl ester",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
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        "C8H7NO"
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      "@value": [
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      ],
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    },
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  },
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  ],
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      "@language": "en",
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  "@type": [
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  "ec_numbers": [
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  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
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  "synonyms": [],
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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  "input_datasets": [
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "flow_object_id": "fo-dd76aefc5af8e420",
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    "cas_match_labels": "consensus_match",
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  "_transformed": true,
  "_provided": {
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    "synonyms": [
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    "context": [
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    "ec_numbers": [
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    "unit": "kg"
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}

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