Consensus flow list

Identity

Type
Neutral molecule
CAS
123-28-4
EC
204-614-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Didodecyl 3,3'-sulfanediyldipropanoate

Alternative labels

65

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GHKOFFNLGXMVNJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
IUPAC name chemrof:IUPAC_name Didodecyl 3,3'-sulfanediyldipropanoate
Molecular formula chemrof:molecular_formula C30H58O4S
Molecular mass chemrof:molecular_mass 514.857
Monoisotopic mass chemrof:monoisotopic_mass 514.40558, 514.405581
SMILES string chemrof:smiles_string CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC

Known URLs

15

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=123-28-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31852-09-2 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165384 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.196 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.205 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.28990.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026999 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65494 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V51YH1B080 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0040172 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.619F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48215 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=48873 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31250 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q26840985 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc53166b-fa60-4b2c-aa7c-230be19e2eba Environmental → Air → Aircraft cruise height EF 3.1 kg 4
57ebd813-910e-4537-9f54-ffcb9045b433 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a6d86f4d-4e0c-4440-b9da-e49f998f2c2c Environmental → Air → Indoor EF 3.1 kg 4
379a1a2b-d82f-4618-b02f-9fe1bb4a508d Environmental → Air → Long-term EF 3.1 kg 0
5aabd892-f474-46f3-8341-6fd8d0002c4a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e3140edc-7c54-4faf-bbd5-7c96b3453489 Environmental → Air → Unknown EF 3.1 kg 4
25e3731e-8bfb-4056-8ebf-bbbe2d83346d Environmental → Ground → Agricultural EF 3.1 kg 4
71c07dab-4e44-4224-9281-1d65209e3bcd Environmental → Ground → Non-agricultural EF 3.1 kg 4
aff7507e-5488-40e2-86be-22f9dce4272e Environmental → Ground → Unknown EF 3.1 kg 4
14cbb7a8-c851-490f-9fbe-988917837727 Environmental → Water → Long-term EF 3.1 kg 0
0b55ef3c-166f-4902-a11e-8d859bb43a5e Environmental → Water → Ocean EF 3.1 kg 4
49047b64-6a0c-4eb3-a5f5-bbef11745ea6 Environmental → Water → Surface water EF 3.1 kg 4
d7ed73d4-5672-4911-9195-08b1669a258f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-48734ee4de816332",
  "prefLabel": [
    {
      "@value": "Didodecyl 3,3'-sulfanediyldipropanoate",
      "@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": "3,3′-Thiodipropionic acid di(n-dodecyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Antiox DLTP",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antiox L",
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    },
    {
      "@value": "Antioxidant AS",
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      }
    },
    {
      "@value": "Antioxidant DLDP",
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    },
    {
      "@value": "Antioxidant DLTDP",
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    {
      "@value": "Antioxidant DLTP",
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    },
    {
      "@value": "Antioxidant LTDP",
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      }
    },
    {
      "@value": "Antioxidant TPL",
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    },
    {
      "@value": "Arbestab DLTP",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Bis(dodecyloxycarbonylethyl) sulfide",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BNX DLTDP",
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    },
    {
      "@value": "BSD-DLTP",
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      }
    },
    {
      "@value": "Carstab DLTDP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chinox DLTP",
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        ],
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      }
    },
    {
      "@value": "Cyanox DLTDP",
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      }
    },
    {
      "@value": "Cyanox LTDP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Didodecyl 3,3′-thiodipropionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dilauryl 3,3′-thiodipropionate",
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        ],
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      }
    },
    {
      "@value": "Dilauryl thiodipropionate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dilauryl β,β′-thiodipropionate",
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        ],
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      }
    },
    {
      "@value": "Dilauryl β-thiodipropionate",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DLT",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DLTDP",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DLTP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DMPTP",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dodecyl 3-(3-dodecoxy-3-oxopropyl)sulanylpropanoate",
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          "http://purl.obolibrary.org/obo/CHEBI_165384"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Gsinox DLTP",
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      }
    },
    {
      "@value": "Hostanox SE 1",
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    {
      "@value": "Ipognox 89",
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    },
    {
      "@value": "Irgafos PS 800",
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      }
    },
    {
      "@value": "Irganox DLTP",
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      "@value": "Irganox PS 800",
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    {
      "@value": "Irganox PS 800FD",
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    },
    {
      "@value": "Irganox PS 800FL",
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    },
    {
      "@value": "Irganox PS 8010FL",
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      }
    },
    {
      "@value": "Lauryl 3,3′-thiodipropionate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Lusmit",
      "@language": "en",
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      "provenance": {
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