Sodium Decyl Sulphate

Decyl sodium sulfate
Decyl sulfate sodium salt
DSS (surfactant)
Pentrone DN
Polystep B 25
Polystep B 25M
Sodium capryl sulfate
Sodium decyl sulfate
Sodium hydrogen sulfate decyl ester
Sodium n-decyl sulfate
Sulfochem NADS
Sulfuric acid, monodecyl ester, sodium salt
Sulfuric acid, monodecyl ester, sodium salt (1:1)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IFWQJLOEDLBVJO-UHFFFAOYSA-N, XZTJQQLJJCXOLP-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
IUPAC name chemrof:IUPAC_name	Sodium Decyl Sulphate
Molecular formula chemrof:molecular_formula	C10H21NaO4S, C10H22NaO4S
SMILES string chemrof:smiles_string	CCCCCCCCCCOS(=O)(=O)[O-].[Na+]

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=142-87-0	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/124202745	enrich_references.pubchem_compound

Flow	Context	Source	Unit	CFs
2f3a56d2-7252-455f-9d3c-4ae864c3c159	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
050327bf-64eb-4a5c-b900-3b9d26fb92eb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
6ab190ce-d08e-4299-a743-1ddcaeac4b1e	Environmental → Air → Indoor	EF 3.1	kg	4
47cb8352-68c7-4dd7-a351-2dd59236939e	Environmental → Air → Long-term	EF 3.1	kg	0
ee118371-0338-4d04-b4c7-72b9af75e351	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3e819d1f-e332-4e6c-a2b4-c76f139a85a2	Environmental → Air → Unknown	EF 3.1	kg	4
3f737f69-b769-49e3-9c71-9b9db28e7a45	Environmental → Ground → Agricultural	EF 3.1	kg	4
9552e3c6-1d8a-4b81-a107-3b3039d8ae0e	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
794a7501-24da-433a-b16b-96b458dab06d	Environmental → Ground → Unknown	EF 3.1	kg	4
68465ba1-8798-4b1f-b2e7-d5ea36c757ee	Environmental → Water → Long-term	EF 3.1	kg	0
3dfdd84e-9575-4789-be5d-ce34e27feb64	Environmental → Water → Ocean	EF 3.1	kg	4
f187a08b-5966-48d5-8a1c-953126877a8b	Environmental → Water → Surface water	EF 3.1	kg	4
2bd6d6e9-1c38-42c4-a8c4-2c78b53be71c	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-a1e4240f1cfd70b3",
  "prefLabel": [
    {
      "@value": "Sodium Decyl Sulphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Decyl sodium sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decyl sulfate sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DSS (surfactant)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentrone DN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polystep B 25",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polystep B 25M",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium capryl sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium decyl sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium hydrogen sulfate decyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium n-decyl sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfochem NADS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monodecyl ester, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid, monodecyl ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:142-87-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H21NaO4S",
        "C10H22NaO4S"
      ],
      "attested_by": {
        "C10H22NaO4S": [
          "enrich_references.pubchem_semantic"
        ],
        "C10H21NaO4S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:124202745"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "IFWQJLOEDLBVJO-UHFFFAOYSA-N",
        "XZTJQQLJJCXOLP-UHFFFAOYSA-M"
      ],
      "attested_by": {
        "IFWQJLOEDLBVJO-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "XZTJQQLJJCXOLP-UHFFFAOYSA-M": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CID:124202745"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Sodium Decyl Sulphate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCOS(=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/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Sodium Decyl Sulphate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;/h2-10H2,1H3,(H,11,12,13);/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 Decyl Sulphate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Sodium Decyl Sulphate"
        ]
      },
      "attested_by": {
        "Sodium Decyl Sulphate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=142-87-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:124202745;CAS:142-87-0"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[142-87-0]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/124202745",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CID:124202745;CAS:142-87-0"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[142-87-0]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "050327bf-64eb-4a5c-b900-3b9d26fb92eb",
    "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": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "142-87-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=142-87-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "205-568-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-568-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "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"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Sodium Decyl Sulphate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard