Consensus flow list

Identity

Type
Neutral molecule
CAS
36631-30-8
EC
253-138-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Triisodecyl Benzene-1,2,4-tricarboxylate

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FJFYFBRNDHRTHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C39H66O6/c1-31(2)22-16-10-7-13-19-27-43-37(40)34-25-26-35(38(41)44-28-20-14-8-11-17-23-32(3)4)36(30-34)39(42)45-29-21-15-9-12-18-24-33(5)6/h25-26,30-33H,7-24,27-29H2,1-6H3
IUPAC name chemrof:IUPAC_name Triisodecyl Benzene-1,2,4-tricarboxylate
Molecular formula chemrof:molecular_formula C39H66O6
Molecular mass chemrof:molecular_mass 630.951
Monoisotopic mass chemrof:monoisotopic_mass 630.48594
SMILES string chemrof:smiles_string CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1

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=36631-30-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.291 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40274208 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182138 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6IFP38QKFS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J586.055E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/169794 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27264957 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
60396555-a45f-4e53-8d99-42f7d2bd8408 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
13898e76-70c9-44ad-8c6e-ec46c2975207 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
16d8818e-a145-497f-94ef-d062c7c1a7d5 Environmental → Air → Indoor EF 3.1 kg 4
6a13d340-31bf-43b7-a3f2-596f62af7230 Environmental → Air → Long-term EF 3.1 kg 0
cd218600-25b8-42af-a11c-bb6b3c16f615 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d7f447d4-7aee-4c99-9c87-717624d6ffff Environmental → Air → Unknown EF 3.1 kg 4
5d874abc-5fca-4a12-8e0e-1ba730c2c8c7 Environmental → Ground → Agricultural EF 3.1 kg 4
b3b82ec3-bcbc-45af-824e-ba6023181f70 Environmental → Ground → Non-agricultural EF 3.1 kg 4
786d8cc6-27a5-4d35-9648-42b53d119db1 Environmental → Ground → Unknown EF 3.1 kg 4
261a0953-58c8-44d0-9aac-708764971241 Environmental → Water → Long-term EF 3.1 kg 0
2ca2540a-bdd1-4023-997a-d65c5e5c677e Environmental → Water → Ocean EF 3.1 kg 4
277ea474-d328-483a-ad46-dfffeb333c9e Environmental → Water → Surface water EF 3.1 kg 4
d7850062-8426-4571-958d-6ca2285a963d 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-a008a696dcde432f",
  "prefLabel": [
    {
      "@value": "Triisodecyl Benzene-1,2,4-tricarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,4-Benzenetricarboxylic acid, 1,2,4-triisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36631-30-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2,4-Benzenetricarboxylic acid, triisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=36631-30-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adekacizer C 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ADK Cizer C 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sansocizer TITM",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Triisodecyl trimellitate",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Trimex T 10",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Tris(isodecyl) trimellitate",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
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        {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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