Diisodecyl phthalate

1,2-Benzenedicarboxylic acid, 1,2-diisodecyl ester
1,2-Benzenedicarboxylic acid, diisodecyl ester
Bis(isodecyl) phthalate
DIDP
Diisodecylphthalate
Hexaplas DIDP
Isodecyl alcohol, phthalate (2:1)
Isodecyl phthalate
Jayflex DIDP
Palatinol DIDP
Palatinol Z
Phthalic acid, diisodecyl ester
Plasthall DIDP
Reomol DiDP
Sansocizer DIDP
Vestinol DZ

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ZVFDTKUVRCTHQE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
IUPAC name chemrof:IUPAC_name	Diisodecyl phthalate
Molecular formula chemrof:molecular_formula	C28H46O4
Molecular mass chemrof:molecular_mass	446.672
Monoisotopic mass chemrof:monoisotopic_mass	446.33961
SMILES string chemrof:smiles_string	CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(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=26761-40-0	enrich_references.consensus_cas_link

Flow	Context	Source	Unit	CFs
3e4d0253-6556-11dd-ad8b-0800200c9a66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac29-0050c2490048	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
45b1b4bf-57b6-43af-a7d4-4eb6271ebb6d	Environmental → Air → Indoor	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac28-0050c2490048	Environmental → Air → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-ac2a-0050c2490048	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac27-0050c2490048	Environmental → Air → Unknown	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac25-0050c2490048	Environmental → Ground → Agricultural	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac2e-0050c2490048	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac26-0050c2490048	Environmental → Ground → Unknown	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac2c-0050c2490048	Environmental → Water → Long-term	EF 3.1	kg	0
fe0acd60-3ddc-11dd-ac2f-0050c2490048	Environmental → Water → Ocean	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac2b-0050c2490048	Environmental → Water → Surface water	EF 3.1	kg	2
fe0acd60-3ddc-11dd-ac2d-0050c2490048	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-5b020ed4bb9acc7f",
  "prefLabel": [
    {
      "@value": "Diisodecyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenedicarboxylic acid, 1,2-diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Benzenedicarboxylic acid, diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(isodecyl) phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diisodecylphthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Hexaplas DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isodecyl alcohol, phthalate (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isodecyl phthalate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Jayflex DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palatinol DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palatinol Z",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalic acid, diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Plasthall DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reomol DiDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sansocizer DIDP",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vestinol DZ",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26761-40-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        ],
        "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": [
        "Diisodecyl phthalate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Diisodecyl phthalate"
        ]
      },
      "attested_by": {
        "Diisodecyl phthalate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Diisodecyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(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/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Diisodecyl phthalate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "ZVFDTKUVRCTHQE-UHFFFAOYSA-N"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "ZVFDTKUVRCTHQE-UHFFFAOYSA-N": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C28H46O4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "C28H46O4": [
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        446.672
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "446.672": [
          "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": [
        446.33961
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C"
        ]
      },
      "attested_by": {
        "446.33961": [
          "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=26761-40-0",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "26761-40-0"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "3e4d0253-6556-11dd-ad8b-0800200c9a66",
    "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": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "26761-40-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=26761-40-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "247-977-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=247-977-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "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

Diisodecyl phthalate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard