Consensus flow list

Identity

Type
NeutralMolecule
CAS
2500-88-1
EC
219-702-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-disulfanediyldioctadecane

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MQQKTNDBASEZSD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,1'-disulfanediyldioctadecane
Molecular formula chemrof:molecular_formula C36H74S2
Molecular mass chemrof:molecular_mass 571.122
Monoisotopic mass chemrof:monoisotopic_mass 570.523194
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC

Known URLs

8

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=2500-88-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.911 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5062475 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=12046 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JRW8U98AUT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J97.262B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75627 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72469943 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
87da34e6-b651-4d39-a87e-c5a153b4a0f9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4585171d-b61c-495b-a101-1a2e86830c7b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
295752cc-18dd-4c21-9f53-746e7c50b921 Environmental → Air → Indoor EF 3.1 kg 4
8ca111ff-2018-4c05-bf9f-9ff4f4f374ee Environmental → Air → Long-term EF 3.1 kg 0
72ba1d80-1c9a-4e05-a4bc-a918f8e59798 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6fa1fb61-a78b-479e-a2e6-93cbe586c686 Environmental → Air → Unknown EF 3.1 kg 4
2804a2d3-72b7-4712-a728-b7a022c2b038 Environmental → Ground → Agricultural EF 3.1 kg 4
ecd37250-610c-4bf4-89d9-918dbf9d26cd Environmental → Ground → Non-agricultural EF 3.1 kg 4
dec289b7-3fc9-424d-8fc1-1345599404f0 Environmental → Ground → Unknown EF 3.1 kg 4
6da61c46-ca32-41c6-a01f-9a6284304cce Environmental → Water → Long-term EF 3.1 kg 0
be1edcfb-1083-4130-b8c3-5e0ca5167dc6 Environmental → Water → Ocean EF 3.1 kg 4
7ff98dc1-64e4-49f0-8ff6-28450b8d3eaf Environmental → Water → Surface water EF 3.1 kg 4
7b9a49d9-9905-43ab-8828-af1d54c43e90 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
{
  "flow_object_id": "fo-31abf1600281914d",
  "prefLabel": [
    {
      "@value": "1,1'-disulfanediyldioctadecane",
      "@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": "1-(Octadecyldisulfanyl)octadecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2500-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(1-octadecyl) disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2500-88-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Di-n-octadecyl disulfide",
      "@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=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dioctadecyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:2500-88-1",
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          "https://commonchemistry.cas.org/detail?cas_rn=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Distearyl disulfide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Disulfide, dioctadecyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "Hostanox SE 10",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Octadecyl disulfide",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=2500-88-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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        }
      ],
      "attested_by": {
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      },
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  },
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}

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