Consensus flow list

Identity

Type
Neutral molecule
CAS
28473-19-0
EC
249-047-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Bis(8-methylnonyl) Sebacate

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OAXZVLMNNOOMGN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3
IUPAC name chemrof:IUPAC_name Bis(8-methylnonyl) Sebacate
Molecular formula chemrof:molecular_formula C30H58O4
Molecular mass chemrof:molecular_mass 482.79
Monoisotopic mass chemrof:monoisotopic_mass 482.43351
SMILES string chemrof:smiles_string CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C

Known URLs

4

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=28473-19-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.573 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/119968 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81984437 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2fc654b1-98d4-43b5-9622-957daca3d042 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0b5182e8-bd25-41c3-bf23-f868eadca108 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
83577b11-0644-4641-a541-12affb5da9b6 Environmental → Air → Indoor EF 3.1 kg 4
97a60acb-168f-40cb-81c4-a9a110694a80 Environmental → Air → Long-term EF 3.1 kg 0
0ca06465-741a-4d14-a6e6-867422c186a7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d97ecf19-dc78-4ac2-ac5c-99a165752fd9 Environmental → Air → Unknown EF 3.1 kg 4
c0bb0293-3104-4a89-8ab0-15b0fde01180 Environmental → Ground → Agricultural EF 3.1 kg 4
dda3fd6d-1500-4685-a921-ed8ead2f21e0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
af0dbf34-ec9a-4046-83e5-39f0b58de88b Environmental → Ground → Unknown EF 3.1 kg 4
876ec133-3edd-4239-973e-c21202cbaa0f Environmental → Water → Long-term EF 3.1 kg 0
4137009c-4979-4925-8f78-8fc8ded3ded8 Environmental → Water → Ocean EF 3.1 kg 4
c05d4491-5ce3-4ac5-8a76-082b366b0b2e Environmental → Water → Surface water EF 3.1 kg 4
52965d63-bf33-4ad6-8145-cc665e321a92 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-1c80c94fce15b254",
  "prefLabel": [
    {
      "@value": "Bis(8-methylnonyl) Sebacate",
      "@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": "Decanedioic acid, 1,10-diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28473-19-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Decanedioic acid, diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28473-19-0",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diisodecyl sebacate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Plasthall DIDS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sebacic acid, diisodecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Uniplex DIDS",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C30H58O4"
      ],
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          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        }
      ]
    },
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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        },
        {
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          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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        "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3"
      ],
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3": [
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        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Bis(8-methylnonyl) Sebacate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Bis(8-methylnonyl) Sebacate"
        ]
      },
      "attested_by": {
        "Bis(8-methylnonyl) Sebacate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
          ]
        }
      ],
      "attested_by": {
        "482.79": [
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        ]
      },
      "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",
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      ],
      "provenance": [
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        }
      ],
      "attested_by": {
        "482.43351": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
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  },
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        "prov:wasDerivedFrom": "pubchem.identifiers[28473-19-0]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0b5182e8-bd25-41c3-bf23-f868eadca108",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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