Consensus flow list

Identity

Type
Neutral molecule
CAS
99-89-8
EC
202-798-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for 4-Isopropylphenol

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YQUQWHNMBPIWGK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
IUPAC name chemrof:IUPAC_name 4-Isopropylphenol
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 CC(C)c1ccc(O)cc1

Known URLs

23

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=99-89-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:167172 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.544 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.7185.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5042299 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1888 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL29966 enrich_references.pubchem_identifier_url
foodb.food foodb.food:FDB005302 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9F59JOO816 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031446 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.396I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44881 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7465 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=580558 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/16567400 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26219367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27486708 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29225186 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30519707 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32970353 enrich_references.chebi_xrefs
reaxys reaxys:1363564 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27272471 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Isopropylphenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7b947ddb-b6b5-42ed-9959-70ebb56397c0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a873e067-d765-430e-a7b8-56b6a06237f7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fc0715cc-d154-4d59-bee8-9d743de104ea Environmental → Air → Indoor EF 3.1 kg 2
7bfd9a0e-4a89-4911-897b-c70a7102618d Environmental → Air → Long-term EF 3.1 kg 0
e20fa467-ba08-4fad-a1c5-c4cc3d5c7e10 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3a4650bf-a3e1-4da2-90cb-be1d0df90a89 Environmental → Air → Unknown EF 3.1 kg 2
3ce7288b-2a38-4b26-93b7-7ab9f4c2b54e Environmental → Ground → Agricultural EF 3.1 kg 2
07470cec-63e8-4d1d-8660-34e5c6a2b5a2 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bcb5d581-5433-498a-8a7b-fb98b65c6ccb Environmental → Ground → Unknown EF 3.1 kg 2
79f505d5-6e81-4d16-b8ae-9a698aa78f42 Environmental → Water → Long-term EF 3.1 kg 0
2a93da63-fc27-40d5-92f7-e23b154e872a Environmental → Water → Ocean EF 3.1 kg 2
eed83497-d097-40c5-828e-415449c1bf14 Environmental → Water → Surface water EF 3.1 kg 2
e2842bcc-b11b-4efb-afcb-2fc7b5537bb8 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-75cc9b4f64cd1862",
  "prefLabel": [
    {
      "@value": "4-Isopropylphenol",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-hydroxy-4-isopropylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_167172"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-(1-methylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-(propan-2-yl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-hydroxycumene",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Australol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-cumenol",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "p-hydroxycumene",
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    },
    {
      "@value": "P-isopropylphenol",
      "@language": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Phenol, 4-(1-methylethyl)-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Phenol, p-isopropyl-",
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