Consensus flow list

Identity

Type
Neutral molecule
CAS
104-43-8
EC
203-202-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for P-dodecylphenol

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KJWMCPYEODZESQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
IUPAC name chemrof:IUPAC_name 4-Dodecylphenol
Molecular formula chemrof:molecular_formula C18H30O
Molecular mass chemrof:molecular_mass 262.437
Monoisotopic mass chemrof:monoisotopic_mass 262.229666, 262.22967
SMILES string chemrof:smiles_string CCCCCCCCCCCCc1ccc(O)cc1

Known URLs

12

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=104-43-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34402 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.912 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1022508 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL194881 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EZF5Y6P2G8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J104.968B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14245 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14245 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67811 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/66030 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27116044 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1d492a40-fe96-4f4b-b48d-ae8e81711d96 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
338333e2-81b3-40c9-9fd3-668e9e948d51 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
47fd1520-68ae-4f99-8e59-cb15b1921138 Environmental → Air → Indoor EF 3.1 kg 2
8a730d02-e48c-4441-bcac-237a3f12ab17 Environmental → Air → Long-term EF 3.1 kg 0
0c5523eb-9800-474f-8077-ac4d2c584953 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
c5318b8e-6971-4993-8889-da50fb0afa29 Environmental → Air → Unknown EF 3.1 kg 2
491ce789-c72d-4877-9ef5-37378486b675 Environmental → Ground → Agricultural EF 3.1 kg 2
5c1a1470-3d8f-4598-9ab7-f19e78add3c3 Environmental → Ground → Non-agricultural EF 3.1 kg 2
86a1d348-915d-4313-ab88-2cdbe4ed18e0 Environmental → Ground → Unknown EF 3.1 kg 2
70bf4160-4163-4194-bd87-31b43ac15984 Environmental → Water → Long-term EF 3.1 kg 0
60b57328-1c69-4351-a3c0-38c718aff606 Environmental → Water → Ocean EF 3.1 kg 2
7b4ac911-5acd-4cab-8d21-f413c2b59305 Environmental → Water → Surface water EF 3.1 kg 2
80af1c98-1d3c-4aa3-9599-f9445cdbcdb7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dabe9b79c96a5919",
  "prefLabel": [
    {
      "@value": "P-dodecylphenol",
      "@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": "4-Dodecylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34402"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "p-n-Dodecylphenol",
      "@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=104-43-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4-dodecyl-",
      "@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=104-43-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, p-dodecyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=104-43-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C18H30O"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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}

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