Consensus flow list

Identity

Type
NeutralMolecule
CAS
85-60-9
EC
201-618-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)

Alternative labels

43

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PFANXOISJYKQRP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3
IUPAC name chemrof:IUPAC_name 4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)
Molecular formula chemrof:molecular_formula C26H38O2
Molecular mass chemrof:molecular_mass 382.588
Monoisotopic mass chemrof:monoisotopic_mass 382.28718
SMILES string chemrof:smiles_string CCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C

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=85-60-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.471 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8029602 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67485 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1337629 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IM86P8WF2S enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247522 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.365F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6815 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280791 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c05806b5-d9eb-44ee-a540-182a83966776 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
00c166d4-288c-4ca5-8986-1639e5e601c9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a73a5842-16bc-4c0f-956a-de1419e2eea8 Environmental → Air → Indoor EF 3.1 kg 2
72403ccc-1b09-4ef9-934d-c3e959088331 Environmental → Air → Long-term EF 3.1 kg 0
f34a62d9-db22-4ed1-a54b-701273559f1c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bf3000a8-29cb-4298-b933-dcfdba66334f Environmental → Air → Unknown EF 3.1 kg 2
e67ac6df-4bff-45a3-ae7f-5551d32fc3c4 Environmental → Ground → Agricultural EF 3.1 kg 2
6b0b2dae-bfa4-4341-a0f4-5696659c6ac0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d225f01a-5694-4227-80f2-235c689616ea Environmental → Ground → Unknown EF 3.1 kg 2
652e64dc-24b2-431c-8174-15f618aece65 Environmental → Water → Long-term EF 3.1 kg 0
3786099d-b2e2-459b-b5de-dc9507232d07 Environmental → Water → Ocean EF 3.1 kg 2
a205ead3-d797-4d73-a32b-65a16f3fee0e Environmental → Water → Surface water EF 3.1 kg 2
181193d0-3fde-49a1-9066-8ed595973ab3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-428e2dc9c6e3a669",
  "prefLabel": [
    {
      "@value": "4,4'-butane-1,1-diylbis(2-tert-butyl-5-methylphenol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1-Bis(2-methyl-4-hydroxy-5-tert-butylphenyl)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Bis(3-tert-butyl-6-methyl-4-hydroxyphenyl)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Bis(4-hydroxy-3-tert-butyl-6-methylphenyl)butane",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-Bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-tert-Butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Butylidene-bis-(2-tert-butyl-5-methyl-phenol)",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4,4′-Butylidenebis(3-methyl-6-t-butylphenol)",
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      "provenance": {
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      }
    },
    {
      "@value": "4,4′-Butylidenebis(3-methyl-6-tert-butylphenol)",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "4,4′-Butylidenebis(6-tert-butyl-3-methylphenol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "4,4′-Butylidenebis(6-tert-butyl-m-cresol)",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Butylidenebis[2-(1,1-dimethylethyl)-5-methylphenol]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "4,4′-Butylidenebis[2-tert-butyl-5-methylphenol]",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Butylidenebis[6-tert-butyl-3-methylphenol]",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Butylidenebis[6-tert-butyl-m-cresol]",
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      }
    },
    {
      "@value": "6,6′-Di-tert-butyl-4,4′-butylidene-di-m-cresol",
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    },
    {
      "@value": "ADK Stab AO 40",
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    },
    {
      "@value": "ADK-AO 40",
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    },
    {
      "@value": "Annulex PBA 15",
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    },
    {
      "@value": "Antage W 300",
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          "https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
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      }
    },
    {
      "@value": "Antioxidant BBM",
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    },
    {
      "@value": "Antioxidant W 300",
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    },
    {
      "@value": "Anullex PBA 15",
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    },
    {
      "@value": "BBM",
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      }
    },
    {
      "@value": "BBM-S",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Lowinox 44B25",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=85-60-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Cresol, 4,4′-butylidenebis[6-tert-butyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
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      }
    },
    {
      "@value": "Mark AO 40",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
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      }
    },
    {
      "@value": "Noclizer NS 30",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Nocrac NS 30",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Nonflex BB",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4,4′-butylidenebis[2-(1,1-dimethylethyl)-5-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santowhite",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santowhite AW 300",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Santowhite Powder",
      "@language": "en",
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      "provenance": {
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