Consensus flow list

Identity

Type
NeutralMolecule
CAS
36443-68-2
EC
253-039-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate]

Alternative labels

26

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QSRJVOOOWGXUDY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H50O8/c1-23-19-25(21-27(31(23)37)33(3,4)5)9-11-29(35)41-17-15-39-13-14-40-16-18-42-30(36)12-10-26-20-24(2)32(38)28(22-26)34(6,7)8/h19-22,37-38H,9-18H2,1-8H3
IUPAC name chemrof:IUPAC_name Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate]
Molecular formula chemrof:molecular_formula C34H50O8
Molecular mass chemrof:molecular_mass 586.766
Monoisotopic mass chemrof:monoisotopic_mass 586.350569
SMILES string chemrof:smiles_string Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

Known URLs

9

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=36443-68-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.202 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044236 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187604 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R24A2HOY7J enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248490 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.647C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91620 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27287694 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a3378794-b290-426b-a1d0-f1406d6c3671 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
22e3dfcf-2e45-4671-bf97-0678d24e3838 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
54656640-ef8f-4589-a365-19b71509444c Environmental → Air → Indoor EF 3.1 kg 4
01d41e7b-d357-40d2-983e-6a6171881e31 Environmental → Air → Long-term EF 3.1 kg 0
71b650f0-654d-4496-a2bc-8900f6966d53 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
210f5b20-095a-4331-b0c3-f76919bb1544 Environmental → Air → Unknown EF 3.1 kg 4
beba3ac2-75ec-41e8-9e8c-db4b6643c9a8 Environmental → Ground → Agricultural EF 3.1 kg 4
d239ba6f-3d4c-41d8-8f84-df5ff7d7ab4e Environmental → Ground → Non-agricultural EF 3.1 kg 4
ee8f30ce-86a3-4444-a8dc-18a4ca16bbe7 Environmental → Ground → Unknown EF 3.1 kg 4
a24dab1f-af71-49c1-99bf-a4bf05935d82 Environmental → Water → Long-term EF 3.1 kg 0
9a241d9a-d7fc-43db-8e96-0fb470335a8f Environmental → Water → Ocean EF 3.1 kg 4
21cb71b1-6df0-442a-ba98-fd27c02d93a0 Environmental → Water → Surface water EF 3.1 kg 4
dd1c2d6a-fa2b-4dfa-9680-372f70c12544 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-5dd004497fb4f99b",
  "prefLabel": [
    {
      "@value": "Ethane-1,2-diylbis(oxyethane-2,1-diyl) Bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate]",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(Ethylenebis(oxyethylene)bis(3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate))",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1′-[1,2-Ethanediylbis(oxy-2,1-ethanediyl)] bis[3-(1,1-dimethylethyl)-4-hydroxy-5-methylbenzenepropanoate]",
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      }
    },
    {
      "@value": "3-(1,1-Dimethylethyl)-4-hydroxy-5-methylbenzenepropanoic acid, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester",
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    {
      "@value": "ADK Stab AO 70",
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    {
      "@value": "AN 2450DW",
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      "@value": "Antioxidant 2450DW",
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    },
    {
      "@value": "Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1′-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester",
      "@language": "en",
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    },
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      "@value": "Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester",
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      "@value": "Ethylenebis(oxyethylene) bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate]",
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      "@value": "Ethylenebis(oxyethylene)bis-(3-(5-tert-butyl-4-hydroxy-m-tolyl)-propionate)",
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      }
    },
    {
      "@value": "Irganox 245FF",
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    },
    {
      "@value": "Irganox I 245",
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    },
    {
      "@value": "Lowinox GP 45",
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      }
    },
    {
      "@value": "Selosol J 162",
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    },
    {
      "@value": "Songnox 2450FF",
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    },
    {
      "@value": "Stabiace PH 2450",
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      "@value": "Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate",
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    },
    {
      "@value": "Triethylene glycol bis-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate]",
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      }
    },
    {
      "@value": "Triethylene glycol bis-[3-(3′-tert-butyl-4′-hydroxy-5′-methylphenyl)propionate]",
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      "@value": "Triethylene glycol bis[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate]",
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  ],
  "properties": {
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