Consensus flow list

Identity

Type
Neutral molecule
CAS
28553-12-0
EC
249-079-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Diisononyl phthalate

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HBGGXOJOCNVPFY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
IUPAC name chemrof:IUPAC_name Diisononyl phthalate
Molecular formula chemrof:molecular_formula C26H42O4
Molecular mass chemrof:molecular_mass 418.618
Monoisotopic mass chemrof:monoisotopic_mass 418.30831
SMILES string chemrof:smiles_string CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C

Known URLs

1

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=28553-12-0 enrich_references.consensus_cas_link

Elementary flows

13
Flow Context Source Unit CFs
b80420fc-30b8-4162-82dc-f0ddd2a4bb7d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cf09a744-f9e9-4fe1-845e-757da50fcffb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
29c90f26-0b7f-47f9-9b11-8791b2853619 Environmental → Air → Indoor EF 3.1 kg 4
4b37b6a5-0aff-44f2-b481-f685fcd5ac21 Environmental → Air → Long-term EF 3.1 kg 0
2a69b4ae-d697-4e04-9708-f6bae930d912 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0890734b-08c5-4644-b1ba-4a6f6edae26a Environmental → Air → Unknown EF 3.1 kg 4
049dfa3a-eaed-435a-bac8-f90a50699899 Environmental → Ground → Agricultural EF 3.1 kg 4
b7c5a609-1153-44fd-a14c-619a816a795a Environmental → Ground → Non-agricultural EF 3.1 kg 4
afc6cf39-26bd-4e59-b818-122a2d213d57 Environmental → Ground → Unknown EF 3.1 kg 4
d65dca6b-a892-4a28-8f6e-96eb8ca8bc22 Environmental → Water → Long-term EF 3.1 kg 0
f8aa171b-5b6f-4958-bc93-75c0fa66f909 Environmental → Water → Ocean EF 3.1 kg 4
266d330c-752d-449e-bd4d-c62047f9cb75 Environmental → Water → Surface water EF 3.1 kg 4
3e63da84-3d3f-494a-8d7a-a3ad6278d30b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ab6868bececceea9",
  "prefLabel": [
    {
      "@value": "Diisononyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, diisononyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_35459"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "bis(7-methyloctyl) benzene-1,2-dicarboxylate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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          "http://purl.obolibrary.org/obo/CHEBI_35459"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Di-''isononyl'' Phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Diacizer DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DINP",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isononyl alcohol, phthalate (2:1)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "JAY-DINP",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jayflex DINP",
      "@language": "en",
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    },
    {
      "@value": "Jayflex DINP-S",
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      }
    },
    {
      "@value": "Monocizer DINP",
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      }
    },
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      "@value": "Palatinol DN",
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      }
    },
    {
      "@value": "Palatinol N",
      "@language": "en",
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      }
    },
    {
      "@value": "Phthalic acid, diisononyl ester",
      "@language": "en",
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      }
    },
    {
      "@value": "Phthalisocizer DINP",
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        ],
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    },
    {
      "@value": "Plastomoll DINP",
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        ],
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    },
    {
      "@value": "Sansocizer DINP",
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      }
    },
    {
      "@value": "Vestinol 9",
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    },
    {
      "@value": "Vestinol NN",
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    {
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  "properties": {
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      "@value": [
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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