Consensus flow list

Identity

Type
Neutral molecule
CAS
3319-31-1
EC
222-020-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Tris(2-ethylhexyl) Benzene-1,2,4-tricarboxylate

Alternative labels

32

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KRADHMIOFJQKEZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3
IUPAC name chemrof:IUPAC_name benzene-1,2,4-tricarboxylic acid tris(2-ethylhexyl) ester, tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate
Molecular formula chemrof:molecular_formula C33H54O6
Molecular mass chemrof:molecular_mass 546.789
Monoisotopic mass chemrof:monoisotopic_mass 546.392039
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC

Known URLs

11

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=3319-31-1 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:184113 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.019 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.811 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9026265 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1425782 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/378539Q830 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246163 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.177F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/18725 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27256655 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
22354dc6-9076-46a3-9ad1-cc2904e5294e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bf6a0616-199a-4420-ad5a-f1e5798756f5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f251586b-1955-4773-860e-4a620d045c5c Environmental → Air → Indoor EF 3.1 kg 4
71df76c6-7ca3-4447-ad9d-cbcda33c845f Environmental → Air → Long-term EF 3.1 kg 0
575abd88-3a75-424c-bb38-e5bd68a2839e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2ad6ba1e-4a19-4829-a301-2b26008c7791 Environmental → Air → Unknown EF 3.1 kg 4
fc9fe25e-912b-4461-9254-f0b2c525435c Environmental → Ground → Agricultural EF 3.1 kg 4
96122e4e-cc27-4c5b-af7a-71cdcc463179 Environmental → Ground → Non-agricultural EF 3.1 kg 4
21d4a4bd-dc1a-4075-a334-843c0576e1a6 Environmental → Ground → Unknown EF 3.1 kg 4
f84520ab-efd1-447d-a3c8-9db5feff24f5 Environmental → Water → Long-term EF 3.1 kg 0
54f5d2f0-9132-4ebb-89cc-86cabb4e1134 Environmental → Water → Ocean EF 3.1 kg 4
f53477af-8491-4a45-80c7-410c871743ea Environmental → Water → Surface water EF 3.1 kg 4
0f7ff067-7d4b-4bcd-b6c3-3bf43a781750 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-918fc5bef1ad859c",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,4-Benzenetricarboxylic acid, 1,2,4-tris(2-ethylhexyl) ester",
      "@language": "en",
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      "@value": "1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester",
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    {
      "@value": "2-Ethylhexyl trimellitate",
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      "@value": "Bisoflex TOT",
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      "@value": "Codan Set 43.4400",
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    {
      "@value": "Diplast TM/ST",
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    {
      "@value": "Eastman TOTM",
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    {
      "@value": "Kodaflex TOTM",
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    },
    {
      "@value": "Monocizer W 700",
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    },
    {
      "@value": "Monocizer W 705",
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    },
    {
      "@value": "Monocizer W 710L",
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      }
    },
    {
      "@value": "Octyl trimellitate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxsoft TOTM-LE",
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        ],
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      }
    },
    {
      "@value": "Palatinol TOTM",
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    },
    {
      "@value": "Pelemol TOTM",
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    },
    {
      "@value": "Plasthall TOTM",
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    },
    {
      "@value": "Reomol OTM",
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    },
    {
      "@value": "Sansocizer TOTM",
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    },
    {
      "@value": "Staflex TOTM",
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    },
    {
      "@value": "TOTM",
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    },
    {
      "@value": "TOTM-D",
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    },
    {
      "@value": "TOTM-I",
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    },
    {
      "@value": "TOTM-NB",
      "@language": "en",
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    },
    {
      "@value": "Tri-2-ethylhexyl trimellitate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Trimex T 08",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Trimex T 08A",
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      }
    },
    {
      "@value": "Tris(2-ethylhexyl) trimellitate",
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  ],
  "properties": {
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    },
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