Consensus flow list

Identity

Type
Neutral molecule
CAS
88122-99-0
EC
402-070-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Tris(2-ethylhexyl) 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JGUMTYWKIBJSTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)
IUPAC name chemrof:IUPAC_name Tris(2-ethylhexyl) 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate
Molecular formula chemrof:molecular_formula C48H66N6O6
Molecular mass chemrof:molecular_mass 823.092
Monoisotopic mass chemrof:monoisotopic_mass 822.504384
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)n2)cc1

Known URLs

12

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=88122-99-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.393 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.334 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90868994 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB15469 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4462531 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XQN8R9SAK4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J428.962E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155512 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/159201 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2455834 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethylhexyl_triazone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc296915-e2a2-41a4-8dc3-f55812387269 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b603b2ff-14b2-44d4-b96f-c6ae74b15801 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
248b0e44-2b6d-4e3d-825e-aa095dad448d Environmental → Air → Indoor EF 3.1 kg 2
8d42111f-cac0-4489-9e0e-88978fb312c6 Environmental → Air → Long-term EF 3.1 kg 0
2e622930-924d-487a-8179-6171fd90b776 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9d0d3318-ecf0-4210-b7db-bac206166516 Environmental → Air → Unknown EF 3.1 kg 2
1975439b-034d-4b7c-a627-451f26e98f8e Environmental → Ground → Agricultural EF 3.1 kg 2
30a4b743-f7d3-49fe-b131-c01fa21906c3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
37b659cd-e10d-41ad-b4a9-4fe79f0958e2 Environmental → Ground → Unknown EF 3.1 kg 2
f6ffc20a-3818-4510-a6b6-2dbbdee0584d Environmental → Water → Long-term EF 3.1 kg 0
6c6ef2e5-afd3-45ba-9c40-cd3feb497ff3 Environmental → Water → Ocean EF 3.1 kg 2
85b90fbb-166d-486b-9ddc-149c01d59743 Environmental → Water → Surface water EF 3.1 kg 2
1a9f2413-15ed-4d9b-9056-30c923e7bb10 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-54c46c71e1d8b3cd",
  "prefLabel": [
    {
      "@value": "Tris(2-ethylhexyl) 4,4',4''-(1,3,5-triazine-2,4,6-triyltriimino)tribenzoate",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,4,6-Trianilino(p-carbo-2-ethylhexyl-1-oxy)-1,3,5-triazine",
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    {
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    {
      "@value": "2,4,6-Tris[4-(2-ethylhexyloxycarbonyl)anilino]-1,3,5-triazine",
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    },
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      "@value": "Benzoic acid, 4,4′,4′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-, 1,1′,1′′-tris(2-ethylhexyl) ester",
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      "@value": "Benzoic acid, 4,4′,4′′-(1,3,5-triazine-2,4,6-triyltriimino)tris-, tris(2-ethylhexyl) ester",
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    {
      "@value": "Ethylhexyl triazone",
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    {
      "@value": "Neo Heliopan EHT",
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    },
    {
      "@value": "Octyl triazone",
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