Consensus flow list

Identity

Type
Neutral molecule
CAS
123-07-9
EC
204-598-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-ethylphenol

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HXDOZKJGKXYMEW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3
IUPAC name chemrof:IUPAC_name 4-ethylphenol
Molecular formula chemrof:molecular_formula C8H10O
Molecular mass chemrof:molecular_mass 122.167
Monoisotopic mass chemrof:monoisotopic_mass 122.07316, 122.073165
SMILES string chemrof:smiles_string CCc1ccc(O)cc1

Known URLs

27

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=123-07-9 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=152399-67-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29471-88-3 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:49584 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.181 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021977 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=62012 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108475 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/p-ethylphenol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AGG7E6G0ZC enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029306 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.496A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C13637 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C13637 enrich_references.pubchem_identifier_url
knapsack knapsack:C00029528 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43765 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10596 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:ETY enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31242 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=026884 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11724248 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22908955 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23311591 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24444954 enrich_references.chebi_xrefs
reaxys reaxys:1363317 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q409853 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Ethylphenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4f18ce8f-49a9-4bc9-aa95-bac8c98ef4ca Environmental → Air → Aircraft cruise height EF 3.1 kg 2
327d37f9-e9fe-478b-adb7-1febfb2c87a2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
484afb68-1b65-4639-8c53-367289be7602 Environmental → Air → Indoor EF 3.1 kg 2
82f8fc4f-85fb-4225-86ca-da90ddfce666 Environmental → Air → Long-term EF 3.1 kg 0
5e44ee03-72d3-407a-96cf-97fc5cb060b7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
429cd4c9-98f7-4f06-a6b0-85580e9b2599 Environmental → Air → Unknown EF 3.1 kg 2
b391e558-925d-4723-9775-23d4b3d4733b Environmental → Ground → Agricultural EF 3.1 kg 2
9f74a9e2-89ef-438f-95b9-c7efde06c1b1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6f60ec5b-bcbc-4b8a-8da4-7f80e5d4123c Environmental → Ground → Unknown EF 3.1 kg 2
745357a5-bf7e-4cbb-b267-19cca8d6d879 Environmental → Water → Long-term EF 3.1 kg 0
aa3cbdb7-0e72-4162-9ed8-80d12039f278 Environmental → Water → Ocean EF 3.1 kg 2
1ab570ad-c140-486b-b81f-cf06d21c34b4 Environmental → Water → Surface water EF 3.1 kg 2
d2037160-6db1-4f79-9cf9-81f396d8833e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a64dda4478610460",
  "prefLabel": [
    {
      "@value": "4-ethylphenol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(4-Hydroxyphenyl)ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(p-Hydroxyphenyl)ethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=123-07-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Ethyl-4-hydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1-Hydroxy-4-ethylbenzene",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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    },
    {
      "@value": "p-Hydroxyethylbenzene",
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    },
    {
      "@value": "para-Ethylphenol",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Paraethylphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phenol, 4-ethyl-",
      "@language": "en",
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      "provenance": {
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    },
    {
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    {
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