Consensus flow list

Identity

Type
Chemical salt
CAS
19147-16-1
EC
242-838-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Potassium Hexanedioate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GCHCGDFZHOEXMP-UHFFFAOYSA-L, WKRHOGKQUARYKR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Potassium Hexanedioate
Molecular formula chemrof:molecular_formula C6H10K2O4, C6H8K2O4
SMILES string chemrof:smiles_string O=C([O-])CCCCC(=O)[O-].[K+].[K+]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=19147-16-1 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87161169 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
867c4599-602a-4ba8-8b20-1b90138d3a92 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b818c06c-28d4-46a7-8c2a-9a73d55dfaf4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
10a129e7-2bc6-4e10-a20d-a17f74bd7817 Environmental → Air → Indoor EF 3.1 kg 2
10e8b653-f9b6-4ddd-8e3b-9c5d5f0ff1e5 Environmental → Air → Long-term EF 3.1 kg 0
a0f152a4-00d1-4b99-8a44-9db5aa20596b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fa19b650-7be1-43c0-87eb-d75fe252ca13 Environmental → Air → Unknown EF 3.1 kg 2
2ca5fc68-abe5-442f-a859-c13deb55d909 Environmental → Ground → Agricultural EF 3.1 kg 2
ce33b466-6b59-4b5b-93ab-d6998e1ae638 Environmental → Ground → Non-agricultural EF 3.1 kg 2
aab6d46d-5af8-43bb-b51f-9a8fecb28b34 Environmental → Ground → Unknown EF 3.1 kg 2
a7868915-a5d5-4911-88af-ca048e2528ee Environmental → Water → Long-term EF 3.1 kg 0
ef0ae420-e756-4eeb-a202-64812c834824 Environmental → Water → Ocean EF 3.1 kg 2
a2ba2e0a-ad4b-45e5-87eb-53b682715247 Environmental → Water → Surface water EF 3.1 kg 2
0c85659c-ae7c-4d7f-8857-055d31a98df3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-0bd07e7f9f0c0489",
  "prefLabel": [
    {
      "@value": "Potassium Hexanedioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Adipic acid, dipotassium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=19147-16-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipotassium adipate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=19147-16-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanedioic acid, dipotassium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=19147-16-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanedioic acid, potassium salt (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Potassium adipate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C6H10K2O4",
        "C6H8K2O4"
      ],
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        "C6H10K2O4": [
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        ],
        "C6H8K2O4": [
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        ]
      },
      "rdfs:label": "Molecular formula",
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        "GCHCGDFZHOEXMP-UHFFFAOYSA-L",
        "WKRHOGKQUARYKR-UHFFFAOYSA-N"
      ],
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        ],
        "GCHCGDFZHOEXMP-UHFFFAOYSA-L": [
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=C([O-])CCCCC(=O)[O-].[K+].[K+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C([O-])CCCCC(=O)[O-].[K+].[K+]"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2"
      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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          ]
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      ],
      "attested_by": {
        "InChI=1S/C6H10O4.2K/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Potassium Hexanedioate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[19147-16-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0c85659c-ae7c-4d7f-8857-055d31a98df3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
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      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
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        "19147-16-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=19147-16-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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