Consensus flow list

Identity

Type
Neutral molecule
CAS
26896-20-8
EC
248-093-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Neodecanoic Acid

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PKJSRUTWBDIWAR-UHFFFAOYSA-N, YPIFGDQKSSMYHQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
IUPAC name chemrof:IUPAC_name Neodecanoic Acid
Molecular formula chemrof:molecular_formula C10H20O2
SMILES string chemrof:smiles_string CC(C)(C)CCCCCC(=O)O

Known URLs

9

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=26896-20-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.043.707 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1699 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1058341 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188877 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RVD8OZJ00D enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0303133 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62817 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27288305 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
84779016-f29f-4571-a3a0-7c6f13004cd1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8c827af7-12a9-4b64-bd58-b90a3c7b1a01 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2410254f-9d89-42cf-b2bf-d2bdae087929 Environmental → Air → Indoor EF 3.1 kg 2
19cdb9f2-d6d5-4a7e-be5c-942e3a3baa04 Environmental → Air → Long-term EF 3.1 kg 0
127b3352-7edf-4796-a290-885f6119dd84 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6916dae0-17ba-412c-89f7-86ef3684ad53 Environmental → Air → Unknown EF 3.1 kg 2
0f3ce1ca-4f8e-4eac-89f8-e222e477d5e6 Environmental → Ground → Agricultural EF 3.1 kg 2
8c199f1b-0e73-4983-85de-840eac7529e4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5c0ae440-eafd-4652-b3a4-bb8e15260a1d Environmental → Ground → Unknown EF 3.1 kg 2
701acb3a-8e65-4070-be7e-77d0261c059d Environmental → Water → Long-term EF 3.1 kg 0
d386499e-bd4e-4c1d-af44-4764743504c5 Environmental → Water → Ocean EF 3.1 kg 2
4e59d9c3-d136-400d-95e6-5d74c22cb727 Environmental → Water → Surface water EF 3.1 kg 2
40111ad7-260b-4862-9a22-c7af6b69c583 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-a322c6149b6617fa",
  "prefLabel": [
    {
      "@value": "Neodecanoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Neodecanoic Acid Prime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:26896-20-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=26896-20-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Shina 10",
      "@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=26896-20-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Topper 5E",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Versatic 10",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Versatic 10 Acid",
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    {
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      },
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      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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          "prov:hadPrimarySource": [
            "CC(C)(C)CCCCCC(=O)O"
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      ],
      "attested_by": {
        "InChI=1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      "provenance": {
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      },
      "attested_by": {
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          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
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    "semantic_typing": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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