Consensus flow list

Identity

Type
Neutral molecule
CAS
118-82-1
EC
204-279-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-methylenebis(2,6-di-tert-butylphenol)

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MDWVSAYEQPLWMX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C29H44O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h14-17,30-31H,13H2,1-12H3
IUPAC name chemrof:IUPAC_name 4,4'-methylenebis(2,6-di-tert-butylphenol)
Molecular formula chemrof:molecular_formula C29H44O2
Molecular mass chemrof:molecular_mass 424.669
Monoisotopic mass chemrof:monoisotopic_mass 424.33413, 424.334131
SMILES string chemrof:smiles_string CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O

Known URLs

12

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=118-82-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34369 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.891 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7022411 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30551 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1795577 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/37N5K66648 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.600A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14287 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14287 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8372 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27116023 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bd4d84b3-263a-4122-9de5-cb5ebe5f50ee Environmental → Air → Aircraft cruise height EF 3.1 kg 4
de8c87da-3e9b-4ec8-9e20-6d49ce1f53bb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5ddd5a1f-d644-4f6b-8c2c-b78f0d2f96d2 Environmental → Air → Indoor EF 3.1 kg 4
e5af4293-52b7-4bd3-9018-490e40e31d85 Environmental → Air → Long-term EF 3.1 kg 0
f0f2a4ec-887e-4372-9857-6eeb8fd13286 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
97edbfa1-3d1e-4c87-b96b-8bcfc90e63e7 Environmental → Air → Unknown EF 3.1 kg 4
82f54bca-5923-4a4e-8f14-b041cb4d3679 Environmental → Ground → Agricultural EF 3.1 kg 4
ce96d078-a993-4b23-8f1d-32ce9794ca0e Environmental → Ground → Non-agricultural EF 3.1 kg 4
4ff907d2-39b9-45d8-a939-a20c70f1e08c Environmental → Ground → Unknown EF 3.1 kg 4
ca75d977-348b-473d-a5a5-c3f1950eee63 Environmental → Water → Long-term EF 3.1 kg 0
cde3b1f7-70c6-48a6-adc4-729cf191129a Environmental → Water → Ocean EF 3.1 kg 4
09364361-591c-4014-9ba4-3170e5b046e1 Environmental → Water → Surface water EF 3.1 kg 4
5bd455ff-f86f-4d82-b62a-7c3d9a8e9b5c 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-a0e0fc349f95e48d",
  "prefLabel": [
    {
      "@value": "4,4'-methylenebis(2,6-di-tert-butylphenol)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-Di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=118-82-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3′,5,5′-Tetra-tert-butyl-4,4′-dihydroxydiphenylmethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylene-bis-2,6-tert-butylphenol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Methylenebis[2,6-bis(1,1-dimethylethyl)phenol",
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      }
    },
    {
      "@value": "4,4′-Methylenebis[2,6-di-tert-butylphenol]",
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    },
    {
      "@value": "Agidol 23",
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    },
    {
      "@value": "Antioxidant E 702",
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    {
      "@value": "Antioxidant T 511",
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    },
    {
      "@value": "Binox M",
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      }
    },
    {
      "@value": "Bis(3,5-di-tert-butyl-4-hydroxyphenyl)methane",
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      }
    },
    {
      "@value": "Bis(4-hydroxy-3,5-di-tert-butylphenyl)methane",
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      "@lang": "en",
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      }
    },
    {
      "@value": "Di(3,5-di-tert-butyl-4-hydroxyphenyl)methane",
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    },
    {
      "@value": "H 301/92",
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    },
    {
      "@value": "Ionox 220 Antioxidant",
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    },
    {
      "@value": "LZ-MB 1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phenol, 4,4′-methylenebis[2,6-bis(1,1-dimethylethyl)-",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Phenol, 4,4′-methylenebis[2,6-di-tert-butyl-",
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        ],
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      }
    },
    {
      "@value": "Vanlube DTB",
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  ],
  "properties": {
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        "C29H44O2"
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      },
      "rdfs:label": "Molecular formula",
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