Consensus flow list

Identity

Type
Neutral molecule
CAS
98-54-4
EC
202-679-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 4-tert-butylphenol

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHPQWRBYOIRBIT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylphenol
Molecular formula chemrof:molecular_formula C10H14O
Molecular mass chemrof:molecular_mass 150.221
Monoisotopic mass chemrof:monoisotopic_mass 150.104465, 150.10447
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(O)cc1

Known URLs

24

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=30813-81-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-54-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34444 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.436 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0637 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020221 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3697 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL16217 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/p-tert-butylphenol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/O81VMW36CV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032063 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.579C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14200 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14200 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45245 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7393 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2430 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24801287 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26302341 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26819047 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8462290 enrich_references.chebi_xrefs
reaxys reaxys:1817334 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2306557 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-tert-Butylphenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
715133d0-5073-403e-8070-69cf2cd1cc02 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
bd12b7c3-da85-4a08-8fde-9ad35e3cdecc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8c2e922c-aaf6-40b3-9492-b25b4db3e3a8 Environmental → Air → Indoor EF 3.1 kg 4
7e84b389-0153-4b53-a59f-26fa9c3aeeab Environmental → Air → Long-term EF 3.1 kg 0
1833b3bd-80da-4b6e-9651-158926453a54 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c1df1e75-d028-41f6-a483-caf3584701b8 Environmental → Air → Unknown EF 3.1 kg 4
33384c2b-4142-4084-8595-467e12eb4772 Environmental → Ground → Agricultural EF 3.1 kg 4
b15ef7ca-4a74-4be8-8e5f-64720cc74009 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8d2e94b6-22f0-4f57-9f0d-950c604286ee Environmental → Ground → Unknown EF 3.1 kg 4
4e0fd68d-59ca-419c-9242-ad0325d121c5 Environmental → Water → Long-term EF 3.1 kg 0
7c240684-2d60-4011-86d2-17525cbce969 Environmental → Water → Ocean EF 3.1 kg 4
e1f7a77d-f826-4308-af5a-6333b9362bf7 Environmental → Water → Surface water EF 3.1 kg 4
66175e13-15f7-4c79-b4d4-66f64999b47a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e12cf85fddc232d1",
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    {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
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      }
    },
    {
      "@value": "B 110666",
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    },
    {
      "@value": "Butylphen",
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    {
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    },
    {
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    {
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    },
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    },
    {
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