Brightway Flows 1.0
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Decanedioic Acid, Bis(2-ethylhexyl) Ester

fo-dd534bac3ad99dea

Identity

Type
Neutral molecule
CAS
122-62-3
EC
204-558-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Decanedioic Acid, Bis(2-ethylhexyl) Ester

Alternative labels

36

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VJHINFRRDQUWOJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
IUPAC name chemrof:IUPAC_name Decanedioic Acid, Bis(2-ethylhexyl) Ester
Molecular formula chemrof:molecular_formula C26H50O4
Molecular mass chemrof:molecular_mass 426.682
Monoisotopic mass chemrof:monoisotopic_mass 426.37091
SMILES string chemrof:smiles_string CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

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=122-62-3 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025055 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=68878 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187356 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U9LS47Q72Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.617J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31218 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q4387284 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d7fcdf97-027e-4114-824f-82cc314b94d0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
459cf82e-2e3f-429d-a25e-8c46252e256a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
14eac629-c730-41f9-b348-15a9820b4f6f Environmental → Air → Indoor EF 3.1 kg 2
9bf15a65-5f84-4ab6-bf0a-f0c24f70456d Environmental → Air → Long-term EF 3.1 kg 0
98af27ca-246d-47fd-90e9-dfa19161aabf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
69f49718-d158-4b65-af41-51ecbce5d3b7 Environmental → Air → Unknown EF 3.1 kg 2
4f439691-bb55-4fbe-8eb2-7557869c43bc Environmental → Ground → Agricultural EF 3.1 kg 2
09f2a2a4-11a6-4010-91d3-291b5866f5cf Environmental → Ground → Non-agricultural EF 3.1 kg 2
c4dca06a-8bf1-416f-9592-fcd1375afd7a Environmental → Ground → Unknown EF 3.1 kg 2
65a8c624-9da1-4c6c-8342-53020ba44f53 Environmental → Water → Long-term EF 3.1 kg 0
c43c4b68-1099-4e77-adf7-089cf5f19b5f Environmental → Water → Ocean EF 3.1 kg 2
e19ec5c5-b15b-4735-be26-134bc29ca69f Environmental → Water → Surface water EF 3.1 kg 2
55a714dc-1716-44e3-a346-a94a45a98c65 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-dd534bac3ad99dea",
  "prefLabel": [
    {
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      "@language": "en",
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  "altLabel": [
    {
      "@value": "BEHS",
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    },
    {
      "@value": "Bis(2-ethylhexyl) decanedioate",
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      "@value": "Ergoplast SDO",
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    },
    {
      "@value": "ES-DOS",
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    },
    {
      "@value": "FineNeo-EHS",
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    {
      "@value": "Hallstar DOS",
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    },
    {
      "@value": "Jeetox T-5",
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    },
    {
      "@value": "Lubricit DOS",
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    },
    {
      "@value": "Monoplex DOS",
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    },
    {
      "@value": "Neosolue-EHS",
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    {
      "@value": "Nycobase 20307 FG",
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    },
    {
      "@value": "Octoil S",
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    },
    {
      "@value": "Plasthall DOS",
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    },
    {
      "@value": "Plexol",
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    },
    {
      "@value": "Reolube DOS",
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    },
    {
      "@value": "Reomol DDS",
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    },
    {
      "@value": "Sansocizer DOS",
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    },
    {
      "@value": "Sebacic acid di(2-ethylhexyl) ester",
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      "provenance": {
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      }
    },
    {
      "@value": "Sebacic acid di-2-ethylhexyl diester",
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    },
    {
      "@value": "Sebacic acid, bis(2-ethylhexyl) ester",
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    },
    {
      "@value": "Staflex DOS",
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    },
    {
      "@value": "Synative ES DEHS",
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    },
    {
      "@value": "Trivent DOS",
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    },
    {
      "@value": "Uniflex DOS",
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    },
    {
      "@value": "Zetemol OSB",
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  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C26H50O4"
      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
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}

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