Consensus flow list

Ethane-1,2-diyl Bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]

fo-4cdb6513114bb773

Identity

Type
Neutral molecule
CAS
32509-66-3
EC
251-073-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Ethane-1,2-diyl Bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JOWXNCPELQZFHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C50H66O8/c1-45(2,3)35-25-31(15-19-39(35)51)49(13,32-16-20-40(52)36(26-32)46(4,5)6)29-43(55)57-23-24-58-44(56)30-50(14,33-17-21-41(53)37(27-33)47(7,8)9)34-18-22-42(54)38(28-34)48(10,11)12/h15-22,25-28,51-54H,23-24,29-30H2,1-14H3
IUPAC name chemrof:IUPAC_name Ethane-1,2-diyl Bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]
Molecular formula chemrof:molecular_formula C50H66O8
Molecular mass chemrof:molecular_mass 795.07
Monoisotopic mass chemrof:monoisotopic_mass 794.475769
SMILES string chemrof:smiles_string CC(C)(C)c1cc(C(C)(CC(=O)OCCOC(=O)CC(C)(c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)c2ccc(O)c(C(C)(C)C)c2)ccc1O

Known URLs

7

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=32509-66-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.415 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9052006 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2IRE6XVP1D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.082A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122891 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27254797 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7d170b56-df39-43f3-86a6-030eb261d274 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c2d7cf43-25f9-4576-89a9-b3d74684db0d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6a58355a-b8c6-419f-b75f-428be3f801d4 Environmental → Air → Indoor EF 3.1 kg 4
02b43d64-9f59-4c45-bb12-43b71e1bb0f5 Environmental → Air → Long-term EF 3.1 kg 0
51dda80d-5fb3-4307-8cdc-590e54924a0c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
89818fa2-34a2-40c3-9983-00581bce46e1 Environmental → Air → Unknown EF 3.1 kg 4
6ab06e83-5112-400a-a30c-729e45817cf0 Environmental → Ground → Agricultural EF 3.1 kg 4
f99d490f-6c7c-4aac-ad2c-d0cb676a257c Environmental → Ground → Non-agricultural EF 3.1 kg 4
0ed80f10-9bfd-42ed-8c44-71fd41eff9dc Environmental → Ground → Unknown EF 3.1 kg 4
d4a5c578-fb24-43a2-af69-6b6b6b16e13a Environmental → Water → Long-term EF 3.1 kg 0
17e5846d-842c-458f-9efb-0136aa3a0ad9 Environmental → Water → Ocean EF 3.1 kg 4
c4d36008-481c-46fe-b2f8-45b0fc519070 Environmental → Water → Surface water EF 3.1 kg 4
84c3ddd7-e770-406d-9d2c-1ffc5bf5ea01 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-4cdb6513114bb773",
  "prefLabel": [
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      "@value": "Ethane-1,2-diyl Bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Ethanediyl bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butanoate]",
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      }
    },
    {
      "@value": "3-(1,1-Dimethylethyl)-β-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-β-methylbenzenepropanoic acid, 1,1′-(1,2-ethanediyl) ester",
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    },
    {
      "@value": "Benzenepropanoic acid, 3-(1,1-dimethylethyl)-β-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-β-methyl-, 1,1′-(1,2-ethanediyl) ester",
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    {
      "@value": "Benzenepropanoic acid, 3-(1,1-dimethylethyl)-β-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-4-hydroxy-β-methyl-, 1,2-ethanediyl ester",
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      "@value": "Bis-[3,3-bis-(4′-hydroxy-3′-tert-butylphenyl butanoic acid)]-glycol ester",
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      "@value": "Bis[3,3-Bis(4-hydroxy-3-tert-butyl phenyl)butanoic acid]glycol ester",
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      "@value": "Ethylene glycol bis[3,3-bis(3-tert-butyl-4-hydroxyphenyl)butyrate]",
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