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Sodium Tetradecyl Sulphate

fo-340a33ecd0281357

Identity

Type
Neutral molecule
CAS
1191-50-0
EC
214-737-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium Tetradecyl Sulphate

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string URLJMZWTXZTZRR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H30O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17/h2-14H2,1H3,(H,15,16,17)
Molecular formula chemrof:molecular_formula C14H30O4S
Molecular mass chemrof:molecular_mass 294.457
Monoisotopic mass chemrof:monoisotopic_mass 294.18648
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCOS(=O)(=O)O

Known URLs

4

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=1191-50-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135234 enrich_references.chebi_id_link
drugcentral drugcentral:2465 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0014607 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
2c5b4a1f-9a87-408d-bb98-468a3064271a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
604d4eab-c91e-41a4-97fb-504cdddeafa8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
79107659-e2aa-4688-bcc8-d86846a39043 Environmental → Air → Indoor EF 3.1 kg 2
5dc781d7-1c0e-4c94-a967-b90ed5158114 Environmental → Air → Long-term EF 3.1 kg 0
ba6a6ccc-49e2-4706-8b70-459679cc453d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f4ddd503-ff8d-49ff-9c46-f9d66ae6d235 Environmental → Air → Unknown EF 3.1 kg 2
bcd31d61-665a-4350-ab4d-5245344844d8 Environmental → Ground → Agricultural EF 3.1 kg 2
c16d84fd-129b-465d-969b-a09e508739fc Environmental → Ground → Non-agricultural EF 3.1 kg 2
d0832ea8-bbe0-4429-b0b2-c6fa0bd6fbc1 Environmental → Ground → Unknown EF 3.1 kg 2
fce656d7-2a61-4026-b200-a66ed2d95782 Environmental → Water → Long-term EF 3.1 kg 0
f6a4c301-7f8e-4cac-9b24-0ff27a666637 Environmental → Water → Ocean EF 3.1 kg 2
f8edf020-a3fb-46a3-bc3e-727db3def3e1 Environmental → Water → Surface water EF 3.1 kg 2
1335af26-1507-4ce7-a5c9-27679105aac2 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 
{
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          "http://purl.obolibrary.org/obo/CHEBI_135234"
        ],
        "prov:wasDerivedFrom": "chebi.id"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "1335af26-1507-4ce7-a5c9-27679105aac2",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "1191-50-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1191-50-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=1191-50-0"
        }
      ],
      "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": [
        "214-737-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=214-737-2"
      ],
      "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/NeutralMolecule"
  ]
}

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