Consensus flow list

Identity

Type
Neutral molecule
CAS
60209-82-7
EC
262-108-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Isodecyl Pivalate

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BCABPEPZSKHFOT-UHFFFAOYSA-N, KGKQNDQDVZQTAG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3
IUPAC name chemrof:IUPAC_name Isodecyl Pivalate
Molecular formula chemrof:molecular_formula C15H30O2
SMILES string chemrof:smiles_string CC(C)CCCCCCCOC(=O)C(C)(C)C

Known URLs

7

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=60209-82-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.056.444 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00892068 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W60VYE24XC enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10198702 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/17821470 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27292369 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9bb0c868-b44b-4a1f-b168-f6e1f48bc900 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b66cba6e-9490-499f-8a91-36a4acc5d1c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
73d724e9-d4a5-40d6-b885-f265c8206951 Environmental → Air → Indoor EF 3.1 kg 2
334622be-df51-4ade-93e3-dea853f9f453 Environmental → Air → Long-term EF 3.1 kg 0
4e0d5830-5303-4ae8-a97d-82b3538eb2f0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
917e6eb3-0b1d-47a9-bd5a-44e8f5c31e8f Environmental → Air → Unknown EF 3.1 kg 2
a76bb858-d058-45b9-9b65-675ea2480012 Environmental → Ground → Agricultural EF 3.1 kg 2
5e8fa20f-9f37-4a4e-afe1-c58e364bb106 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6a6a0788-de83-401e-84ef-eceb3dbf26ce Environmental → Ground → Unknown EF 3.1 kg 2
d0e063e5-0038-4a1f-b79a-17f79c9da859 Environmental → Water → Long-term EF 3.1 kg 0
23abe3a5-a8f5-40ce-a457-aa92db898001 Environmental → Water → Ocean EF 3.1 kg 2
19b79346-a20f-49aa-937e-68b385eae84e Environmental → Water → Surface water EF 3.1 kg 2
3133edce-7aea-4905-b222-dd75e7849dc4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a0bccb2fcd24383a",
  "prefLabel": [
    {
      "@value": "Isodecyl Pivalate",
      "@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": "Ceraphyl SLK",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:60209-82-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60209-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DUB VCI-10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
          "CAS:60209-82-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60209-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DUB VIC-10",
      "@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=60209-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Isodecyl neopentanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=60209-82-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propanoic acid, 2,2-dimethyl-, isodecyl ester",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    }
  ],
  "properties": {
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      "@value": [
        "C15H30O2"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)C(C)(C)C"
          ]
        }
      ]
    },
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        "BCABPEPZSKHFOT-UHFFFAOYSA-N",
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      ],
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        "KGKQNDQDVZQTAG-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
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        },
        {
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)CCCCCCCOC(=O)C(C)(C)C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
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          ]
        },
        {
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          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "CC(C)CCCCCCCOC(=O)C(C)(C)C": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3"
      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)CCCCCCCOC(=O)C(C)(C)C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C15H30O2/c1-13(2)11-9-7-6-8-10-12-17-14(16)15(3,4)5/h13H,6-12H2,1-5H3": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Isodecyl Pivalate"
        ]
      },
      "attested_by": {
        "Isodecyl Pivalate": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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      "@id": "https://chem.echa.europa.eu/100.056.444",
      "provenance": {
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      }
    },
    {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "19b79346-a20f-49aa-937e-68b385eae84e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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