Brightway Flows 1.0
GitHub

4-pentylphenol

fo-7befdb1e5c7903b9

Identity

Type
Neutral molecule
CAS
14938-35-3
EC
239-015-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-pentylphenol

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZNPSUQQXTRRSBM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3
IUPAC name chemrof:IUPAC_name 4-pentylphenol
Molecular formula chemrof:molecular_formula C11H16O
Molecular mass chemrof:molecular_mass 164.248
Monoisotopic mass chemrof:monoisotopic_mass 164.120115, 164.12012
SMILES string chemrof:smiles_string CCCCCc1ccc(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=14938-35-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34441 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.454 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044164 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL153388 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/40069Q368Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.565B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14466 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14466 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123604 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26975 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27116071 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
51ca5ce7-2014-46f6-ade6-1601d2c625e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
95e7a1f7-81ed-4148-acfc-7652b94788fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3a8a9321-f613-4e33-ad62-cfea8821c26b Environmental → Air → Indoor EF 3.1 kg 2
ae4715bd-4739-432a-9036-61c5c9a90974 Environmental → Air → Long-term EF 3.1 kg 0
9a0d9214-27d9-4025-9d02-86792e3609d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7e927ca8-458d-4881-a93e-e620db0279f8 Environmental → Air → Unknown EF 3.1 kg 2
8a6b624b-10c1-4d80-938a-06fbbefd1b6d Environmental → Ground → Agricultural EF 3.1 kg 2
0b9c56d9-a4aa-4e7c-a2e7-19538c8bf375 Environmental → Ground → Non-agricultural EF 3.1 kg 2
44c1f3c9-8c10-417b-ab1a-71389457fd7f Environmental → Ground → Unknown EF 3.1 kg 2
ce16275a-30bb-459b-a2cf-8c841912c83c Environmental → Water → Long-term EF 3.1 kg 0
5cdc6e4b-42ea-46c2-9df6-f9a52aec66e0 Environmental → Water → Ocean EF 3.1 kg 2
f2107e87-5d87-4145-b912-6850f5605020 Environmental → Water → Surface water EF 3.1 kg 2
0a52759d-0d68-4d93-8e5c-c009178ca427 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 
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "14938-35-3"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=14938-35-3"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=14938-35-3"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "239-015-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=239-015-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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