Brightway Flows 1.0
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Diisononyl Adipate

fo-1fe291d838d83082

Identity

Type
Neutral molecule
CAS
33703-08-1
EC
251-646-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Diisononyl Adipate

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AYWLCKHHUFBVGJ-UHFFFAOYSA-N, ZDNDVJDUJLSRSN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H46O4/c1-21(2)15-9-5-7-13-19-27-23(25)17-11-12-18-24(26)28-20-14-8-6-10-16-22(3)4/h21-22H,5-20H2,1-4H3
IUPAC name chemrof:IUPAC_name Diisononyl Adipate
Molecular formula chemrof:molecular_formula C24H46O4
SMILES string chemrof:smiles_string CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C

Known URLs

9

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=33703-08-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.046.937 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00860489 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188864 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BMQ5JF4857 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.715.738D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/176514739 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6427097 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q116587 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cf41a234-9daf-4d38-9942-10ca4de4521c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
328e1ae9-8e7e-4f5b-a585-102f445f313e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d643d6e9-c6f0-45e8-bea3-ac373b8b0121 Environmental → Air → Indoor EF 3.1 kg 4
6a2dfebf-f0e2-42f1-925e-a56313ae1a71 Environmental → Air → Long-term EF 3.1 kg 0
a369244b-bf6b-44fa-855e-c3b00562fd3d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7ba66365-367b-480a-800c-ffcce7fea987 Environmental → Air → Unknown EF 3.1 kg 4
a988bff2-7d6e-4908-a94c-a4cc93b9c2d5 Environmental → Ground → Agricultural EF 3.1 kg 4
dbb73ce1-b671-4e12-80c3-8d1df3c5ba8a Environmental → Ground → Non-agricultural EF 3.1 kg 4
c93382cd-864d-4ec6-9be2-fc00fc086893 Environmental → Ground → Unknown EF 3.1 kg 4
578603e7-250f-46d9-b4f9-f240206fd767 Environmental → Water → Long-term EF 3.1 kg 0
24bb64ed-2795-4a11-9028-29d14ac6208b Environmental → Water → Ocean EF 3.1 kg 4
b4f3620c-7ff1-4938-80bb-6687184c66d1 Environmental → Water → Surface water EF 3.1 kg 4
a4cc8d3b-f0be-4a18-a005-01d9678bb6d9 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-1fe291d838d83082",
  "prefLabel": [
    {
      "@value": "Diisononyl Adipate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Adipic acid, diisononyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DINA",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Glissofluid A 13",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hexanedioic acid, 1,6-diisononyl ester",
      "@language": "en",
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      "@value": "Isononyl alcohol, adipate (2:1)",
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}

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