Consensus flow list

Identity

Type
Neutral molecule
CAS
141-63-9
EC
205-492-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dodecamethylpentasiloxane

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FBZANXDWQAVSTQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H36O4Si5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h1-12H3
IUPAC name chemrof:IUPAC_name Dodecamethylpentasiloxane
Molecular formula chemrof:molecular_formula C12H36O4Si5
Molecular mass chemrof:molecular_mass 384.846
Monoisotopic mass chemrof:monoisotopic_mass 384.14599, 384.145992
SMILES string chemrof:smiles_string C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C

Known URLs

13

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=141-63-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84272 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.994 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044803 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0QDQ2VQ5YJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J65.603H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8853 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24255951 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24753603 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25518943 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9105171 enrich_references.chebi_xrefs
reaxys reaxys:1792965 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27157634 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
aa58260b-fd7e-472e-8bf9-ec86d67620ec Environmental → Air → Aircraft cruise height EF 3.1 kg 6
a512040e-8bd7-4c8f-bace-68a21a99e139 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
c23fa459-a840-45ba-bf2f-dfbf53fdb908 Environmental → Air → Indoor EF 3.1 kg 6
7cefd2b6-6426-451b-ad64-597279356316 Environmental → Air → Long-term EF 3.1 kg 2
cba9194f-5b2b-437a-91e7-3abe21208835 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
9445f6e5-b16f-4d56-88a3-85084bcb5df8 Environmental → Air → Unknown EF 3.1 kg 6
21acd59b-0240-451f-943f-ae5bcf7684d9 Environmental → Ground → Agricultural EF 3.1 kg 4
3ab50bfe-e0a7-426c-bad4-0ab0167235a7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
be23f301-6a53-4bbd-8a73-ce54c2eaff36 Environmental → Ground → Unknown EF 3.1 kg 4
8f13c403-bebb-4d3d-a377-c1bae141becf Environmental → Water → Long-term EF 3.1 kg 0
b809c68f-e616-48cb-93da-1a864be55861 Environmental → Water → Ocean EF 3.1 kg 4
0063b3c0-419d-4949-9797-b062053cb6a8 Environmental → Water → Surface water EF 3.1 kg 4
05cc8dd2-ace0-4c5d-b6e5-15e913e8a222 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0063b3c0-419d-4949-9797-b062053cb6a8",
    "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": [
        "141-63-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=141-63-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=141-63-9"
        }
      ],
      "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": [
        "205-492-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=205-492-2"
      ],
      "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,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An  organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_84272"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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