Consensus flow list

Identity

Type
Neutral molecule
CAS
94-28-0
EC
202-319-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-ethylhexanoate)

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FRQDZJMEHSJOPU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3
IUPAC name chemrof:IUPAC_name Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis(2-ethylhexanoate)
Molecular formula chemrof:molecular_formula C22H42O6
Molecular mass chemrof:molecular_mass 402.572
Monoisotopic mass chemrof:monoisotopic_mass 402.298139, 402.29814
SMILES string chemrof:smiles_string CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC

Known URLs

10

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=94-28-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189116 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.109 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.6917.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3026564 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185676 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GE16EV367Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.536D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7185 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27279058 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3fe0dd93-a068-4386-bb70-e17b99eb3553 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fdd605cd-8614-4003-8330-e082f35913c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bfcb303a-536a-4f40-b988-0dc532a0be26 Environmental → Air → Indoor EF 3.1 kg 4
23473560-c6f8-4691-8fb2-8ffda5857d8d Environmental → Air → Long-term EF 3.1 kg 0
49b76621-ffe7-4d30-bdc6-f91298c0f23e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
55021d6d-e619-46b1-a18e-c7f5608c15f5 Environmental → Air → Unknown EF 3.1 kg 4
eac9cb28-1aa4-4ace-860b-ccced1549c53 Environmental → Ground → Agricultural EF 3.1 kg 4
67f5ed22-aed0-4df1-8fbb-1a401867c112 Environmental → Ground → Non-agricultural EF 3.1 kg 4
59de22f2-cd35-4b93-bc9a-90362e7b4c86 Environmental → Ground → Unknown EF 3.1 kg 4
42ffee9a-65ff-488e-bc1f-fb63bdc213d1 Environmental → Water → Long-term EF 3.1 kg 0
a0e69e09-5ef2-41b1-907b-330dfa47d089 Environmental → Water → Ocean EF 3.1 kg 4
e77bf6ad-e6e1-42b7-8109-ad342d6d922f Environmental → Water → Surface water EF 3.1 kg 4
5ed19596-86ee-43ce-a347-68ab2a0c7847 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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  ],
  "altLabel": [
    {
      "@value": "1,2-Bis-[2-(2-ethyl-hexanoyloxy)-ethoxy]-ethane",
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    },
    {
      "@value": "2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate",
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    {
      "@value": "TegMeR 803",
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    },
    {
      "@value": "Triethylene glycol 2-ethylhexanoic acid diester (1:2)",
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    },
    {
      "@value": "Triethylene glycol bis(ethylhexanoate)",
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    {
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    },
    {
      "@value": "Triethylene glycol di-2-ethylhexoate",
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    },
    {
      "@value": "Triethylene glycol diisooctanoate",
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