Consensus flow list

Identity

Type
Neutral molecule
CAS
112-49-2
EC
203-977-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Triglyme

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YFNKIDBQEZZDLK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name Triglyme
Molecular formula chemrof:molecular_formula C8H18O4
Molecular mass chemrof:molecular_mass 178.228
Monoisotopic mass chemrof:monoisotopic_mass 178.120509, 178.12051
SMILES string chemrof:smiles_string COCCOCCOCCOC

Known URLs

23

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=112-49-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44842 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.616 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1570 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026224 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02078 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02078 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66400 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1235255 enrich_references.pubchem_identifier_url
gmelin gmelin:675792 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/32YXG88KK0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.127F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56588 enrich_references.pubchem_identifier_url
patent patent:WO2004020378 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:PG5 enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1235255 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8189 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21977005 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23644568 enrich_references.chebi_xrefs
reaxys reaxys:1700630 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2453066 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triethylene_glycol_dimethyl_ether enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triglyme enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
6e26b17f-8007-4156-b96d-893c7aa62161 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0acf74cc-8cf9-4b4a-a31c-4884e0fd7c3e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7f67f0d0-c59f-43a4-81b0-c95158b0f6cf Environmental → Air → Indoor EF 3.1 kg 4
cfa0d644-94ac-41e8-b976-96607d746468 Environmental → Air → Long-term EF 3.1 kg 0
0a9fce94-dbc2-4bbc-9b76-456619372ea4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
921cd77b-73dc-43b0-a6c9-34da1e89c24d Environmental → Air → Unknown EF 3.1 kg 4
1cc0bf94-aa19-4835-b126-41f77d0bf5cf Environmental → Ground → Agricultural EF 3.1 kg 4
f90bf21d-5d0f-4a3c-aeb6-85aeaaa0e908 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1329cf70-d036-4c71-a402-5ef83078e438 Environmental → Ground → Unknown EF 3.1 kg 4
bc43fca9-9df5-418b-9858-4a16759bfd60 Environmental → Water → Long-term EF 3.1 kg 0
1a75a598-4180-4488-84be-9aa5b914bfa6 Environmental → Water → Ocean EF 3.1 kg 4
fe997423-ab7b-4b45-8449-f4df35f98dce Environmental → Water → Surface water EF 3.1 kg 4
54c009be-c1ff-4b5f-a1bc-6ae416a31ec0 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-7e8c231c1a42a754",
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      "@language": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "1,2-bis(2-methoxyethoxy)ethane",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane",
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    },
    {
      "@value": "2,5,8,11-tetraoxadodecane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "dimethyl ether of triethylene glycol",
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    {
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    },
    {
      "@value": "Ethane, 1,2-bis(2-methoxyethoxy)-",
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    },
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    {
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