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1,1'-(2,3-dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]

fo-de0dbc619d451ec1

Identity

Type
Neutral molecule
CAS
25822-43-9
EC
449-400-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for 1,1'-(2,3-dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QZSVMKVOLCRBKZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H34/c1-17(2)19-9-13-21(14-10-19)23(5,6)24(7,8)22-15-11-20(12-16-22)18(3)4/h9-18H,1-8H3
IUPAC name chemrof:IUPAC_name 1,1'-(2,3-dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]
Molecular formula chemrof:molecular_formula C24H34
Molecular mass chemrof:molecular_mass 322.536
Monoisotopic mass chemrof:monoisotopic_mass 322.266051
SMILES string chemrof:smiles_string CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1

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=25822-43-9 enrich_references.consensus_cas_link

Elementary flows

13
Flow Context Source Unit CFs
3bb9183b-ff62-43b6-8262-98e4f2f3867d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
030983d7-237f-4936-81d3-1d6a8e79393f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
595036a0-b192-4231-8333-fafd3693973b Environmental → Air → Indoor EF 3.1 kg 4
25904be0-d30a-4fcf-9b7e-cd710017e76d Environmental → Air → Long-term EF 3.1 kg 0
1b794a45-e324-43a2-a437-152dd5bda8a8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1781295f-cbba-40c6-b8f2-efb84e78ab92 Environmental → Air → Unknown EF 3.1 kg 4
0f0c8ee7-2161-47c3-8ff6-828f8ef657c7 Environmental → Ground → Agricultural EF 3.1 kg 4
81ec2b7a-b09a-4fb8-a434-9ebe7219e008 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8bbd6923-e93f-42eb-9e12-047f7b2c6438 Environmental → Ground → Unknown EF 3.1 kg 4
694bf919-0841-470e-8ed0-6aa0bcb3b31a Environmental → Water → Long-term EF 3.1 kg 0
e6186e77-b0c0-46cf-9231-86a946169dd6 Environmental → Water → Ocean EF 3.1 kg 4
9a96cf89-14e7-4e5b-a0fc-d25aaaf5a87c Environmental → Water → Surface water EF 3.1 kg 4
b4cda190-698c-46fb-94b1-e5991bf3a4ec Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-de0dbc619d451ec1",
  "prefLabel": [
    {
      "@value": "1,1'-(2,3-dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Diisopropylbenzene homopolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25822-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1,4-bis(1-methylethyl)-, homopolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25822-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, p-diisopropyl-, homopolymer",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:25822-43-9",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, p-diisopropyl-, polymers",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CCPIB",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Interox VP 156",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oligo(p-diisopropylbenzene)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Diisopropylbenzene polymer",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Poly(1,4-diisopropylbenzene)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Poly(p-diisopropylbenzene)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "rdfs:label": "IUPAC name",
      "@value": [
        "1,1'-(2,3-dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
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        "CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1"
      ],
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        },
        {
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      ],
      "attested_by": {
        "CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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          ]
        },
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          "prov:hadPrimarySource": [
            "CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1"
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      "attested_by": {
        "InChI=1S/C24H34/c1-17(2)19-9-13-21(14-10-19)23(5,6)24(7,8)22-15-11-20(12-16-22)18(3)4/h9-18H,1-8H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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        "QZSVMKVOLCRBKZ-UHFFFAOYSA-N"
      ],
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          "CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1"
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      },
      "attested_by": {
        "QZSVMKVOLCRBKZ-UHFFFAOYSA-N": [
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    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "rdfs:label": "Molecular formula",
      "@value": [
        "C24H34"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
        "C24H34": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
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      },
      "attested_by": {
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          "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": [
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          "CC(C)c1ccc(C(C)(C)C(C)(C)c2ccc(C(C)C)cc2)cc1"
        ]
      },
      "attested_by": {
        "322.266051": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "030983d7-237f-4936-81d3-1d6a8e79393f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "25822-43-9"
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=25822-43-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
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      "rdfs:seeAlso": [
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      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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