Consensus flow list

Identity

Type
ChemicalSalt
CAS
1072-15-7
EC
214-002-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sulfuric Acid, C9 Alkyl Esters, Sodium Salts

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FQIXOJDROMTZGQ-UHFFFAOYSA-N, FTWCSAMTIKSPAT-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium nonyl sulfate
Molecular formula chemrof:molecular_formula C9H19NaO4S, C9H20NaO4S
SMILES string chemrof:smiles_string CCCCCCCCCOS(=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=1072-15-7 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131865474 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
ffb80c68-2466-433c-a3e7-93e796b00727 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e81e9bf3-6a96-4f25-bbce-c370a52fc0c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3aa3f4c6-07de-477a-9443-4efc527a5972 Environmental → Air → Indoor EF 3.1 kg 4
bcb746a2-6da5-4121-b59b-5519dbd9c66d Environmental → Air → Long-term EF 3.1 kg 0
6c74448e-1ac7-49c7-bb5b-2624809dde30 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2f7646ab-386d-4e78-80b2-a8219a37c90e Environmental → Air → Unknown EF 3.1 kg 4
0132b713-07ea-481d-9b8d-39acd3e59fb6 Environmental → Ground → Agricultural EF 3.1 kg 4
563eec01-991d-4c34-8fb8-7895b2f85015 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a4b03138-2142-4884-9619-88a3ca21c878 Environmental → Ground → Unknown EF 3.1 kg 4
e8148397-5987-4e77-98fc-2fb53b47df9f Environmental → Water → Long-term EF 3.1 kg 0
3022bacf-0477-4bc8-b0f4-63dfa784bfbb Environmental → Water → Ocean EF 3.1 kg 4
89ed11eb-d6bf-43a9-9ee2-e01aebd5abb8 Environmental → Water → Surface water EF 3.1 kg 4
ba6baa33-dcd9-4b0a-958f-7a6b91da0ce9 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
      "@value": "Sulfuric Acid, C9 Alkyl Esters, Sodium Salts",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Nonyl sodium 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=1072-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium nonyl sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1072-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monononyl ester, sodium 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=1072-15-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monononyl ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H19NaO4S",
        "C9H20NaO4S"
      ],
      "attested_by": {
        "C9H20NaO4S": [
          "enrich_references.pubchem_semantic"
        ],
        "C9H19NaO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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        }
      ]
    },
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        "FQIXOJDROMTZGQ-UHFFFAOYSA-N",
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      ],
      "attested_by": {
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        ],
        "FTWCSAMTIKSPAT-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCOS(=O)(=O)[O-].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium nonyl sulfate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCOS(=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/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1"
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C9H20O4S.Na/c1-2-3-4-5-6-7-8-9-13-14(10,11)12;/h2-9H2,1H3,(H,10,11,12);/q;+1/p-1": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium nonyl sulfate"
        ]
      },
      "attested_by": {
        "Sodium nonyl sulfate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=1072-15-7",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[1072-15-7]"
      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[1072-15-7]"
      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0132b713-07ea-481d-9b8d-39acd3e59fb6",
    "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": {
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      "@value": [
        "1072-15-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1072-15-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        }
      ],
      "provenance": {
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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