Consensus flow list

Identity

Type
NeutralMolecule
CAS
141-17-3
EC
205-465-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis[2-(2-butoxyethoxy)ethyl] Adipate

Alternative labels

27

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SCABKEBYDRTODC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H42O8/c1-3-5-11-25-13-15-27-17-19-29-21(23)9-7-8-10-22(24)30-20-18-28-16-14-26-12-6-4-2/h3-20H2,1-2H3
IUPAC name chemrof:IUPAC_name Bis[2-(2-butoxyethoxy)ethyl] Adipate
Molecular formula chemrof:molecular_formula C22H42O8
Molecular mass chemrof:molecular_mass 434.57
Monoisotopic mass chemrof:monoisotopic_mass 434.287968
SMILES string chemrof:smiles_string CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC

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=141-17-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.969 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027085 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2132625 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O955C8WB42 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.502D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8836 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27285502 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22d1719b-c4da-4534-89b9-b8a8c594500a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d8b1b717-611e-4cc9-bc29-1c3d173f79c0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a895416c-4124-4fb9-b3d8-f420ff6ea2b3 Environmental → Air → Indoor EF 3.1 kg 4
0223cdd8-5638-40eb-90e5-d6ec9882b163 Environmental → Air → Long-term EF 3.1 kg 0
224cd45f-7ade-4211-a9fc-7cc4c56a893d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b0f01d4c-f4dc-4163-a765-5b8e3145e920 Environmental → Air → Unknown EF 3.1 kg 4
b41de58e-9b23-4430-862a-8adf1083b68c Environmental → Ground → Agricultural EF 3.1 kg 4
0778a318-bb27-42f0-8dc1-7f66cbb7aa05 Environmental → Ground → Non-agricultural EF 3.1 kg 4
968e1fab-11d4-4392-a875-6a62c7acaaba Environmental → Ground → Unknown EF 3.1 kg 4
380b96d2-6ca2-4c53-9e03-bc6760bc50ac Environmental → Water → Long-term EF 3.1 kg 0
2c2d471f-e7a9-45a4-bc18-5c9ad4c4e6aa Environmental → Water → Ocean EF 3.1 kg 4
a600327f-769e-491c-b11e-491c24db8593 Environmental → Water → Surface water EF 3.1 kg 4
faa1ef4b-ea87-4468-acdd-2db7d88bde87 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-b2b772c7cfd6272a",
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    {
      "@value": "Bis[2-(2-butoxyethoxy)ethyl] Adipate",
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  "altLabel": [
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    {
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    {
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  "properties": {
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