Consensus flow list

Identity

Type
Chemical salt
CAS
2044-56-6
EC
218-058-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Lithium Dodecyl Sulfate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GQHVYRGZGHNLKO-UHFFFAOYSA-N, YFVGRULMIQXYNE-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Lithium Dodecyl Sulfate
Molecular formula chemrof:molecular_formula C12H25LiO4S, C12H26LiO4S
SMILES string chemrof:smiles_string CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]

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=2044-56-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87058930 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
87785875-1918-4354-b4dc-c333a5172e8e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
60d9a254-f740-44d8-a0ac-42f1d8f92a58 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
53be9914-2374-4ccd-b8cd-6c97ce887630 Environmental → Air → Indoor EF 3.1 kg 4
e87acdb1-4b91-4179-8d51-bc751a2e71a6 Environmental → Air → Long-term EF 3.1 kg 0
a5b7ab30-d3fb-4858-83cb-4fa566d1dee5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c2fc1ea4-b833-4101-9c1f-e96e3553e85b Environmental → Air → Unknown EF 3.1 kg 4
9743a88c-99aa-4671-9449-e0b7082b4f7c Environmental → Ground → Agricultural EF 3.1 kg 4
9c77c8a0-84e8-4b7d-be2e-1924a39e3ccb Environmental → Ground → Non-agricultural EF 3.1 kg 4
6fe46fb0-9821-4551-a7b7-8637e732c676 Environmental → Ground → Unknown EF 3.1 kg 4
957fc920-e7fa-4aa5-8b17-188ee8477a5d Environmental → Water → Long-term EF 3.1 kg 0
90ed3d5b-9dcd-4a0a-9355-4c59fd927c35 Environmental → Water → Ocean EF 3.1 kg 4
8a6def89-891b-4a97-a9b7-3601bd2aa512 Environmental → Water → Surface water EF 3.1 kg 4
3bca010d-d347-4a5f-886b-ced89c70cecf Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c714c96c1ddc7a16",
  "prefLabel": [
    {
      "@value": "Lithium Dodecyl Sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Cycloryl LA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2044-56-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2044-56-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecyl lithium sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2044-56-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2044-56-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Li dodecyl sulfate",
      "@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=2044-56-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lithium lauryl sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sinnopon LL 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sipon LL 30",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monododecyl ester, lithium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monododecyl ester, lithium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2044-56-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Taipol NLL 27",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C12H25LiO4S",
        "C12H26LiO4S"
      ],
      "attested_by": {
        "C12H26LiO4S": [
          "enrich_references.pubchem_semantic"
        ],
        "C12H25LiO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "GQHVYRGZGHNLKO-UHFFFAOYSA-N",
        "YFVGRULMIQXYNE-UHFFFAOYSA-M"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "YFVGRULMIQXYNE-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Lithium Dodecyl Sulfate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOS(=O)(=O)[O-].[Li+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H26O4S.Li/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        ]
      },
      "attested_by": {
        "Lithium Dodecyl Sulfate": [
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      }
    }
  },
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        "prov:wasDerivedFrom": "pubchem.by_cas[2044-56-6]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "3bca010d-d347-4a5f-886b-ced89c70cecf",
    "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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      "@value": [
        "2044-56-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2044-56-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2044-56-6"
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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
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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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