Consensus flow list

Identity

Type
Chemical salt
CAS
2386-53-0
EC
219-200-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Sodium Dodecane-1-sulphonate

Alternative labels

17

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DAJSVUQLFFJUSX-UHFFFAOYSA-M, NGPZJQXXJCDBDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium Dodecane-1-sulphonate
Molecular formula chemrof:molecular_formula C12H25NaO3S, C12H26NaO3S
SMILES string chemrof:smiles_string CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]

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=2386-53-0 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87060252 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
769b338f-1a85-493b-b334-9594414bf455 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
70998ef5-678b-4134-b1ea-ae57d3732389 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4d62e027-6d3a-48f1-bbdc-8d91999f4030 Environmental → Air → Indoor EF 3.1 kg 2
ae3fd9e7-c552-4ff4-be32-61fac6837c67 Environmental → Air → Long-term EF 3.1 kg 0
b2844747-377c-4c71-8619-47ee0d1a6040 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
0a27e297-652f-4dd7-b49d-a30849e7a772 Environmental → Air → Unknown EF 3.1 kg 2
ae3e04da-91d6-40c6-99db-7518888da144 Environmental → Ground → Agricultural EF 3.1 kg 2
7f04c02e-2bbc-4bc3-8fa3-a25a74a6a280 Environmental → Ground → Non-agricultural EF 3.1 kg 2
51ba7d45-39c4-4082-b4f5-2e74dd1d9071 Environmental → Ground → Unknown EF 3.1 kg 2
1b427e00-11bc-473f-ae1d-e9224a5a47ea Environmental → Water → Long-term EF 3.1 kg 0
63d89db2-3211-4af5-848b-1f1853a34ce0 Environmental → Water → Ocean EF 3.1 kg 2
7bcf091c-43db-4dfb-8297-dccc76e0c49b Environmental → Water → Surface water EF 3.1 kg 2
5506247d-912c-4a09-a2a5-2dd21439cd2a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-af391269f4641831",
  "prefLabel": [
    {
      "@value": "Sodium Dodecane-1-sulphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Dodecanesulfonic acid, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Dodecanesulfonic acid, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acme SLS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Calsoft SLS 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanesulfonic acid, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecyl sodium sulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecylsulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emal 2FG",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Laurylsulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Dodecylsulfonic acid sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Perlan Alb",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 1-dodecanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium dodecanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium dodecylsulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium laurylsulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium n-dodecylsulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Stepanol PCK",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2386-53-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H25NaO3S",
        "C12H26NaO3S"
      ],
      "attested_by": {
        "C12H26NaO3S": [
          "enrich_references.pubchem_semantic"
        ],
        "C12H25NaO3S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87060252"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DAJSVUQLFFJUSX-UHFFFAOYSA-M",
        "NGPZJQXXJCDBDS-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "NGPZJQXXJCDBDS-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "DAJSVUQLFFJUSX-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:87060252"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium Dodecane-1-sulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium Dodecane-1-sulphonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H26O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium Dodecane-1-sulphonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium Dodecane-1-sulphonate"
        ]
      },
      "attested_by": {
        "Sodium Dodecane-1-sulphonate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87060252;CAS:2386-53-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[2386-53-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/87060252",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:87060252;CAS:2386-53-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[2386-53-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0a27e297-652f-4dd7-b49d-a30849e7a772",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2386-53-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2386-53-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "219-200-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-200-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.