Diisononyl phthalate

1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
1,2-Benzenedicarboxylic acid, diisononyl ester
bis(7-methyloctyl) benzene-1,2-dicarboxylate
Di-''isononyl'' Phthalate
Diacizer DINP
DINP
Isononyl alcohol, phthalate (2:1)
JAY-DINP
Jayflex DINP
Jayflex DINP-S
Monocizer DINP
Palatinol DINP
Palatinol DN
Palatinol N
Phthalic acid, diisononyl ester
Phthalisocizer DINP
Plastomoll DINP
Sansocizer DINP
Vestinol 9
Vestinol NN
Vinycizer 90

Property	Value
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

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

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

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-ab6868bececceea9",
  "prefLabel": [
    {
      "@value": "Diisononyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "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",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "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",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "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",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "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": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Diacizer DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isononyl alcohol, phthalate (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "JAY-DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jayflex DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jayflex DINP-S",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monocizer DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palatinol DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palatinol DN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palatinol N",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalic acid, diisononyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_35459"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phthalisocizer DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Plastomoll DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sansocizer DINP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vestinol 9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vestinol NN",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vinycizer 90",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CAS:28553-12-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Diisononyl phthalate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "Diisononyl phthalate"
        ]
      },
      "attested_by": {
        "Diisononyl phthalate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Diisononyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "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"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "Diisononyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "brightway-flows",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "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": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "HBGGXOJOCNVPFY-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "HBGGXOJOCNVPFY-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C26H42O4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "C26H42O4": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        418.618
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "418.618": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        418.30831
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "418.30831": [
          "rdkit_post_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "28553-12-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "049dfa3a-eaed-435a-bac8-f90a50699899",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "28553-12-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=28553-12-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "249-079-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=249-079-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Diisononyl phthalate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard