Consensus flow list

Identity

Type
Neutral molecule
CAS
645-56-7
EC
211-446-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 4-Propylphenol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KLSLBUSXWBJMEC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name 4-Propylphenol
Molecular formula chemrof:molecular_formula C9H12O
Molecular mass chemrof:molecular_mass 136.194
Monoisotopic mass chemrof:monoisotopic_mass 136.088815, 136.08882
SMILES string chemrof:smiles_string CCCc1ccc(O)cc1

Known URLs

15

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=645-56-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34434 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.407 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9022100 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=65647 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL35297 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/p-propylphenol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H27VG833JY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032625 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J13.769C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14311 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14311 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45663 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12580 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27116062 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
933035da-1ecf-4128-93c4-04ba8864a15e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b183508a-d49a-40cc-8e78-bc69f39624d5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3817344e-8fb7-4e01-9f7f-1d3459d80eb7 Environmental → Air → Indoor EF 3.1 kg 2
551c56f6-ebd0-401f-9e68-8eaa5f44a30d Environmental → Air → Long-term EF 3.1 kg 0
b57eeacb-42ef-43cd-9d95-c886588b3085 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
69f12b0b-7f3a-4b94-8754-a8b3e09652e1 Environmental → Air → Unknown EF 3.1 kg 2
b3ba305f-cf8e-44b5-a1a8-909bf5d40591 Environmental → Ground → Agricultural EF 3.1 kg 2
73e1dac0-1cc5-4af9-9037-c5c1f8b0ce6a Environmental → Ground → Non-agricultural EF 3.1 kg 2
e3831f38-4e5f-4b0c-b1d7-826778e38656 Environmental → Ground → Unknown EF 3.1 kg 2
dc78d1f9-e717-429c-a13f-59bf42d64d55 Environmental → Water → Long-term EF 3.1 kg 0
188f421f-70bc-449a-af1e-9e0853f2e15b Environmental → Water → Ocean EF 3.1 kg 2
36bbf233-3cbe-4817-a4a7-23a56413a690 Environmental → Water → Surface water EF 3.1 kg 2
b190b27f-5cfd-44ce-b155-924346fb4edf Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-308ea72b4271b856",
  "prefLabel": [
    {
      "@value": "4-Propylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:645-56-7",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-n-Propylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dihydrochavicol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hydrochavicol",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "p-Hydroxy-n-propylbenzene",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Hydroxypropylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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      }
    },
    {
      "@value": "P-propylphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Phenol, 4-propyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, p-propyl-",
      "@language": "en",
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  ],
  "properties": {
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