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Tetraethylene glycol

fo-e221f990ecc2e4f9

Identity

Type
Neutral molecule
CAS
112-60-7
EC
203-989-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tetraethylene glycol

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UWHCKJMYHZGTIT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
IUPAC name chemrof:IUPAC_name Tetraethylene glycol
Molecular formula chemrof:molecular_formula C8H18O5
Molecular mass chemrof:molecular_mass 194.227
Monoisotopic mass chemrof:monoisotopic_mass 194.11542, 194.115424
SMILES string chemrof:smiles_string OCCOCCOCCOCCO

Known URLs

17

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
beilstein beilstein:1634320 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112-60-7 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=9004-76-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44920 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.627 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026922 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1262 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235254 enrich_references.pubchem_identifier_url
gmelin gmelin:102668 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0094708 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.377B enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56590 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84077 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PG4 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8200 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1368864 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q12430182 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
46fcd64d-319a-4c00-9d93-78639f752fbd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
acc3bfe6-2dd7-4a5c-889b-c6baceb3ed5c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b31e93f9-db78-4978-bbeb-8dd3d6084a62 Environmental → Air → Indoor EF 3.1 kg 2
87e5eab1-1ca2-4314-b1d5-cc13c5301857 Environmental → Air → Long-term EF 3.1 kg 0
d05fac1f-dedd-4622-9d79-cef7be754756 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7df12e9c-e4d1-42c4-a4f0-c28d90971916 Environmental → Air → Unknown EF 3.1 kg 2
a143cca2-d30f-4ea6-adbd-9b5d0b881cc2 Environmental → Ground → Agricultural EF 3.1 kg 2
2480fe33-ecc8-453f-988f-cb3810fdb3a4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b334a93-9f4f-4b4b-9f2b-efddaa9e4a50 Environmental → Ground → Unknown EF 3.1 kg 2
4863bd5f-d194-498e-a832-5b419aeddda6 Environmental → Water → Long-term EF 3.1 kg 0
134f9a3a-7bcd-46fe-9cc1-72b4c9555707 Environmental → Water → Ocean EF 3.1 kg 2
a523a98b-2e72-4300-a000-964149a05a3f Environmental → Water → Surface water EF 3.1 kg 2
06d4793c-1a69-48f4-85ff-afd0a5822875 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e221f990ecc2e4f9",
  "prefLabel": [
    {
      "@value": "Tetraethylene glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-60-7",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,11-Dihydroxy-3,6,9-trioxaundecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2'-[oxybis(2,1-ethanediyloxy)]bisethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2'-[Oxybis(2,1-ethanediyloxy)]diethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_44920"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2′-((Oxybis(ethane-2,1-diyl))bis(oxy))bis(ethanol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-((Oxybis(ethane-2,1-diyl))bis(oxy))diethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[[Oxybis(ethane-2,1-diyl)]bis(oxy)]bis(ethan-1-ol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[Oxybis(2,1-ethanediyloxy)]bis[ethanol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-[Oxybis(2,1-ethanediyloxy)]diethanol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(2-[2-(2-hydroxyethoxy)ethoxy]ethoxy)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethanol",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "3,6,9-trioxaundecan-1,11-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "3,6,9-trioxaundecane-1,11-diol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Bis[2-(2-hydroxyethoxy)ethyl] ether",
      "@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=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanol, 2,2′-[oxybis(2,1-ethanediyloxy)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hi-Dry",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-60-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C8H18O5"
      ],
      "attested_by": {
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      },
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        },
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      "rdfs:label": "InChI",
      "@value": [
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    },
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      "rdfs:label": "IUPAC name",
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      ],
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    }
  },
  "references": [
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