Consensus flow list

Identity

Type
NeutralMolecule
CAS
98-29-3
EC
202-653-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-tert-butylbenzene-1,2-diol

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XESZUVZBAMCAEJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
IUPAC name chemrof:IUPAC_name 4-tert-butylbenzene-1,2-diol
Molecular formula chemrof:molecular_formula C10H14O2
Molecular mass chemrof:molecular_mass 166.22
Monoisotopic mass chemrof:monoisotopic_mass 166.09938
SMILES string chemrof:smiles_string CC(C)(C)c1ccc(O)c(O)c1

Known URLs

13

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=98-29-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.413 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024687 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5310 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL220845 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9A069144KR enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246584 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.591K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=127313 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7381 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017768 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q840843 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-tert-Butylcatechol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff4c9a7d-b53e-4964-9686-b73c529088ab Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0d9b9a26-37b7-499a-af16-eb00edd8257f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c53a9fde-0acf-4b19-9ec3-1e1d3cecb0c9 Environmental → Air → Indoor EF 3.1 kg 4
9fa29556-eb1d-45ff-a0c3-68fa7abe484f Environmental → Air → Long-term EF 3.1 kg 0
9e9aa4c4-3d0a-45bd-905a-e98840976123 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c610592e-5510-456b-bb47-969af6193a34 Environmental → Air → Unknown EF 3.1 kg 4
1f929886-d209-442b-a986-87d92087ddfb Environmental → Ground → Agricultural EF 3.1 kg 4
0180e4c8-2eb2-42db-bc89-382653911ad0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2d174b60-b6fe-4c4c-9678-31345aa80429 Environmental → Ground → Unknown EF 3.1 kg 4
d3d08312-aa47-443f-820e-d3463768a7b3 Environmental → Water → Long-term EF 3.1 kg 0
ba3587e4-7eb0-4b3d-9368-9d1f3da0a431 Environmental → Water → Ocean EF 3.1 kg 4
ef8da89e-fda1-48db-97ee-0058513227c9 Environmental → Water → Surface water EF 3.1 kg 4
b5cba750-520d-4cc6-a2e2-7b747d4d2882 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5d0bbc7eac117bfc",
  "prefLabel": [
    {
      "@value": "4-tert-butylbenzene-1,2-diol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2-Benzenediol, 4-(1,1-dimethylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-29-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Dihydroxy-4-tert-butylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(1,1-Dimethylethyl)-1,2-benzenediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(1,1-Dimethylethyl)benzene-1,2-diol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-(1,1-Dimethylethyl)catechol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4-TBC",
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      }
    },
    {
      "@value": "4-tert-Butyl-1,2-benzenediol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butyl-1,2-dihydroxybenzene",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "4-tert-Butyl-o-catechol",
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    },
    {
      "@value": "4-tert-Butylcatechin",
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    },
    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-tert-Butylpyrocatechol",
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    },
    {
      "@value": "5-tert-Butylcatechol",
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    },
    {
      "@value": "DIC-TBC 5P",
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      }
    },
    {
      "@value": "Inhibitor NLC 10",
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        ],
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      }
    },
    {
      "@value": "p-t-Butylcatechol",
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        ],
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      }
    },
    {
      "@value": "p-tert-Butylcatechol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-tert-Butylpyrocatechol",
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      }
    },
    {
      "@value": "Pyrocatechol, 4-tert-butyl-",
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  "properties": {
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  "references": [
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