Consensus flow list

Identity

Type
Neutral molecule
CAS
88-60-8
EC
201-842-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-tert -butyl-5-methylphenol

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XOUQAVYLRNOXDO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
IUPAC name chemrof:IUPAC_name 2-tert -butyl-5-methylphenol
Molecular formula chemrof:molecular_formula C11H16O
Molecular mass chemrof:molecular_mass 164.248
Monoisotopic mass chemrof:monoisotopic_mass 164.120115
SMILES string chemrof:smiles_string Cc1ccc(C(C)(C)C)c(O)c1

Known URLs

10

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=88-60-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.675 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2026529 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=48467 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1880057 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UXV32MJ2CA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.497H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=125236 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6937 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27074017 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
30865c67-6108-4b87-b010-0d100079705b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
489a9083-c6b6-4b54-acc4-0c8b74ee402e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1ca98b1b-8581-4efc-b581-4829bd4ae627 Environmental → Air → Indoor EF 3.1 kg 4
10972123-4af0-461b-a2bc-fc9c350f84fb Environmental → Air → Long-term EF 3.1 kg 0
6a6e0e7f-ec64-4863-a46b-576fd4d28448 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f3725a78-5426-4144-b593-5df29ffaf6a4 Environmental → Air → Unknown EF 3.1 kg 4
d6b2a151-7f78-4ec0-a5e3-2a28e4747428 Environmental → Ground → Agricultural EF 3.1 kg 4
b845f7c0-0634-459d-bc68-48cb6698dc7d Environmental → Ground → Non-agricultural EF 3.1 kg 4
e43f177d-cc1e-498e-9de1-5bee6620c1bd Environmental → Ground → Unknown EF 3.1 kg 4
65f03ae3-c96f-474d-bafd-0da47d53a570 Environmental → Water → Long-term EF 3.1 kg 0
825899e6-4d83-421d-b7b7-668a082f3f9d Environmental → Water → Ocean EF 3.1 kg 4
a13096ad-985a-4e1f-88df-e5eedcfafd1d Environmental → Water → Surface water EF 3.1 kg 4
396ccfa7-4518-48f4-a87d-5b39010cde0d 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-b2421d91fee3a9e7",
  "prefLabel": [
    {
      "@value": "2-tert -butyl-5-methylphenol",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(1,1-Dimethylethyl)-5-methylphenol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-tert-Butyl-5-methylphenol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Methyl-6-tert-butylphenol",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "5-Methyl-2-tert-butylphenol",
      "@language": "en",
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    },
    {
      "@value": "6-tert-Butyl-3-cresol",
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    },
    {
      "@value": "6-tert-Butyl-m-cresol",
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    },
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}

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