Consensus flow list

Identity

Type
Neutral molecule
CAS
128-39-2
EC
204-884-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,6-bis(1,1-dimethylethyl)-phenol

Alternative labels

18

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DKCPKDPYUFEZCP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
IUPAC name chemrof:IUPAC_name 2,6-bis(1,1-dimethylethyl)-phenol
Molecular formula chemrof:molecular_formula C14H22O
Molecular mass chemrof:molecular_mass 206.329
Monoisotopic mass chemrof:monoisotopic_mass 206.167065, 206.16707
SMILES string chemrof:smiles_string CC(C)(C)c1cccc(C(C)(C)C)c1O

Known URLs

21

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=128-39-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131421 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.441 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1611 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.29135.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6027052 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49175 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL281071 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/21294V58PF enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.683K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130017 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/CVL59DQUT8PH enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/31405 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2430 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/27279638 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27454828 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27506338 enrich_references.chebi_xrefs
reaxys reaxys:1841887 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2218184 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,6-Di-tert-butylphenol enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d9ee7ab2-9610-4fbf-b6e7-3ec2e4f949a2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1115dfa0-ae3d-43b8-8fab-bc41813dd543 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2d05581e-3de2-461a-a1d8-7bd3b9a423ef Environmental → Air → Indoor EF 3.1 kg 4
993e5586-3205-4cc5-9127-7848bd99a772 Environmental → Air → Long-term EF 3.1 kg 0
77c99c89-9186-482a-9c8c-f42e7cb1f466 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
90f46c94-ff40-4bda-a87a-a5e691ee64d1 Environmental → Air → Unknown EF 3.1 kg 4
24eec686-4988-4b37-ac9c-36bac5776770 Environmental → Ground → Agricultural EF 3.1 kg 4
a7bb36f3-d5c1-4885-bf71-36b018988c51 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f005ca4c-9794-4046-9fed-b5b91c9bdb98 Environmental → Ground → Unknown EF 3.1 kg 4
6289da29-cc3a-4a0c-a04c-e8fe0045e2cd Environmental → Water → Long-term EF 3.1 kg 0
3cc2099b-519f-486a-b8ea-ca33d9ed2902 Environmental → Water → Ocean EF 3.1 kg 4
6f3c3834-af8a-4241-a4cb-2884fbf11d15 Environmental → Water → Surface water EF 3.1 kg 4
b8e4bd69-ec9e-4943-a11f-87e01d1c79df Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a061f4380188ee94",
  "prefLabel": [
    {
      "@value": "2,6-bis(1,1-dimethylethyl)-phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-(1,1-Dimethylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Bis(1,1-dimethylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Bis(t-butyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Bis(tert-butyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Di-(1,1-Dimethylethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "2,6-Di-t-butylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-Di-tert-butyl-4-phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Di-tert-butylhydroxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-di-tert-butylphenol",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,6-tert-Butylphenol",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Agidol 0",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "Aladdin 1138077",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Antioxidant T 502",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethyl AN 701",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Kerobit TP 26",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Na Lube AO 242",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,6-bis(1,1-dimethylethyl)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 2,6-di-tert-butyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C14H22O"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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        {
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      "provenance": {
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