Consensus flow list

Identity

Type
Neutral molecule
CAS
4431-83-8
EC
224-631-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5,7,10-tetraoxaundecane

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QWRBKBNCFWPVJX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H16O4/c1-8-3-5-10-7-11-6-4-9-2/h3-7H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,5,7,10-tetraoxaundecane
Molecular formula chemrof:molecular_formula C7H16O4
Molecular mass chemrof:molecular_mass 164.201
Monoisotopic mass chemrof:monoisotopic_mass 164.104859
SMILES string chemrof:smiles_string COCCOCOCCOC

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=4431-83-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.393 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20196131 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5225 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0AU083F9GJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.811A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78164 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27236551 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7ce6bf5b-1f64-4be3-86eb-ccd51df3267d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c9d37b94-f857-47c5-9f42-aa8306b544d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c8dc5f1e-efc8-49fc-a8f1-e392a1397c29 Environmental → Air → Indoor EF 3.1 kg 2
11c5b7f5-a487-4b2a-b025-acd53b47b010 Environmental → Air → Long-term EF 3.1 kg 0
3fde22f2-a7d0-4815-9750-e19218042940 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
5b3f8486-aaed-4600-89c6-7888e3da6aaa Environmental → Air → Unknown EF 3.1 kg 2
129d24b8-ddc3-4530-a421-3af9a74c4a62 Environmental → Ground → Agricultural EF 3.1 kg 2
05b43f60-849c-48c4-a1c3-683464936776 Environmental → Ground → Non-agricultural EF 3.1 kg 2
06b0757d-98bd-4168-8f8d-57c361de9470 Environmental → Ground → Unknown EF 3.1 kg 2
a9276ec0-a436-434a-8bc6-12281b714239 Environmental → Water → Long-term EF 3.1 kg 0
28efd72d-bc2a-4553-b4eb-9ab5cc0a9403 Environmental → Water → Ocean EF 3.1 kg 2
31d7f3e2-d1b7-4fa0-a019-e712f4ffd36d Environmental → Water → Surface water EF 3.1 kg 2
2deb4e2c-ccf3-45f6-aa40-4483e735e0b3 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-d0d85e105a6baf0b",
  "prefLabel": [
    {
      "@value": "2,5,7,10-tetraoxaundecane",
      "@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": "1-Methoxy-2-(2-methoxyethoxymethoxy)ethane",
      "@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=4431-83-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(2-methoxyethoxy)methane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol monomethyl ether formal",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Formaldehyde bis(2-methoxyethyl) acetal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Methane, bis(2-methoxyethoxy)-",
      "@language": "en",
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      "provenance": {
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    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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