Consensus flow list

Identity

Type
NeutralMolecule
CAS
112-36-7
EC
203-963-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Bis(2-ethoxyethyl) Ether

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RRQYJINTUHWNHW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name Bis(2-ethoxyethyl) Ether
Molecular formula chemrof:molecular_formula C8H18O3
Molecular mass chemrof:molecular_mass 162.229
Monoisotopic mass chemrof:monoisotopic_mass 162.12559, 162.125594
SMILES string chemrof:smiles_string CCOCCOCCOCC

Known URLs

20

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=112-36-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44664 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.603 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1151 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3025047 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB08357 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235106 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZH086O935Z enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.124A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=151496 enrich_references.pubchem_identifier_url
patent patent:KR100644968B enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:P4G enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1235106 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8179 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11695613 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3981663 enrich_references.chebi_xrefs
reaxys reaxys:1699259 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5275148 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Diethylene_glycol_diethyl_ether enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
1ec787ef-2501-42b4-90f8-d0ff0254d609 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ec0261af-495d-4eff-b879-1d18e06c0d1a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
79eb68e2-1bcb-4a24-ab1c-87c01c0b699b Environmental → Air → Indoor EF 3.1 kg 4
fb42ca99-9d31-4fa6-8305-d58ba3941a08 Environmental → Air → Long-term EF 3.1 kg 0
e125fe9e-6795-4fa1-94b4-a6f29d073608 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8a8c9cb2-a86c-447b-b2e2-bb8622b51e67 Environmental → Air → Unknown EF 3.1 kg 4
c062ff73-2240-433a-8c84-d3755822d6cc Environmental → Ground → Agricultural EF 3.1 kg 4
ac898716-dd9b-4119-b4ee-1e96de68ea9f Environmental → Ground → Non-agricultural EF 3.1 kg 4
30987bc3-b854-4193-97ec-35f2528a83a4 Environmental → Ground → Unknown EF 3.1 kg 4
7876fa2d-973a-40c1-89d4-552839eb9940 Environmental → Water → Long-term EF 3.1 kg 0
079108d3-b56f-4562-8522-e2c4bc50c2e9 Environmental → Water → Ocean EF 3.1 kg 4
8e8621ea-719d-4cd6-bb88-1c92d0030df1 Environmental → Water → Surface water EF 3.1 kg 4
181b5776-a365-4d94-b544-26a8be4fe304 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-644be1e49c6d7700",
  "prefLabel": [
    {
      "@value": "Bis(2-ethoxyethyl) Ether",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-Oxybis[2-ethoxyethane]",
      "@language": "en",
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    },
    {
      "@value": "1,5-diethoxy-3-oxapentane",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-ethoxy-2-(2-ethoxyethoxy)ethane",
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      }
    },
    {
      "@value": "2-(2-Ethoxyethoxy)-1-ethoxyethane",
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      }
    },
    {
      "@value": "2-Ethoxyethyl ether",
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    {
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