Consensus flow list

Identity

Type
Chemical salt
CAS
3088-31-1
EC
221-416-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium 2-[2-(dodecyloxy)ethoxy]ethyl Sulfate

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CCOLTGDJNYONDL-UHFFFAOYSA-N, GUQPDKHHVFLXHS-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C16H34O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-14-21-15-16-22-23(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2-[2-(dodecyloxy)ethoxy]ethyl Sulfate
Molecular formula chemrof:molecular_formula C16H33NaO6S, C16H34NaO6S
SMILES string chemrof:smiles_string CCCCCCCCCCCCOCCOCCOS(=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=3088-31-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87457592 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
8c63c72b-dfa6-42a0-b95a-2b9f8d87180d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7c89c87f-e1c0-42c0-b6ea-0ac01520d137 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
be53a79d-4c1b-498f-a2b8-831cc4368e9b Environmental → Air → Indoor EF 3.1 kg 2
3fc607fe-606b-4c42-84cc-f4f362dbcd37 Environmental → Air → Long-term EF 3.1 kg 0
26a7d7db-b992-4742-8aa9-4c566dd98ffa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
be431820-a6e5-40e7-a8df-f508eb9b974e Environmental → Air → Unknown EF 3.1 kg 2
fe425301-aaae-4f10-bbf2-d7936a8dabed Environmental → Ground → Agricultural EF 3.1 kg 2
a0f6ef17-f2a5-44ea-81e4-038c652f3c4a Environmental → Ground → Non-agricultural EF 3.1 kg 2
45ef1cc2-ce84-47c6-9b61-e10b92eb5d68 Environmental → Ground → Unknown EF 3.1 kg 2
5f243681-e547-4e71-b6df-e89ac2251ffe Environmental → Water → Long-term EF 3.1 kg 0
b84200d3-0d9e-415d-9b19-d8da2d46878e Environmental → Water → Ocean EF 3.1 kg 2
b90363e8-09a9-4581-a2eb-fa69f8063c6d Environmental → Water → Surface water EF 3.1 kg 2
c595af7f-0157-480f-9ac3-a3d5f7d1f264 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
{
  "flow_object_id": "fo-88ebe25d55b6b376",
  "prefLabel": [
    {
      "@value": "Sodium 2-[2-(dodecyloxy)ethoxy]ethyl Sulfate",
      "@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": "2-(2-Dodecyloxyethoxy)ethyl sodium 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=3088-31-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol dodecyl ether sodium 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=3088-31-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol dodecyl ether sulfate sodium salt",
      "@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=3088-31-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol lauryl ether sodium sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=3088-31-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol monododecyl ether sodium sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol monododecyl ether sulfate sodium salt",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethylene glycol monolauryl ether sodium sulfate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Diethylene glycol monolauryl ether sulfate sodium salt",
      "@language": "en",
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        ],
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    },
    {
      "@value": "Ethanol, 2-[2-(dodecyloxy)ethoxy]-, 1-(hydrogen sulfate), sodium salt (1:1)",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Ethanol, 2-[2-(dodecyloxy)ethoxy]-, hydrogen sulfate, sodium salt",
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        ],
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      }
    },
    {
      "@value": "Sodium (lauryloxyethoxy)ethyl sulfate",
      "@language": "en",
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      }
    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Sodium diethylene glycol lauryl ether sulfate",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Sodium dioxyethylene dodecyl ether sulfate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
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        ],
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      }
    },
    {
      "@value": "Sodium dodeceth-2 sulfate",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium dodecyl dioxyethylene sulfate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sulfuric acid mono[2-[2-(dodecyloxy)ethoxy]ethyl] ester sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tainolin AES 70-2NC",
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        ],
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    },
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      },
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}

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