Consensus flow list

6,6'-di-tert-butyl-4,4'-thiodi-m-cresol

fo-52089ad17d7c2b9c

Identity

Type
Neutral molecule
CAS
96-69-5
EC
202-525-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6,6'-di-tert-butyl-4,4'-thiodi-m-cresol

Alternative labels

48

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HXIQYSLFEXIOAV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
IUPAC name chemrof:IUPAC_name 6,6'-di-tert-butyl-4,4'-thiodi-m-cresol
Molecular formula chemrof:molecular_formula C22H30O2S
Molecular mass chemrof:molecular_mass 358.547
Monoisotopic mass chemrof:monoisotopic_mass 358.196651
SMILES string chemrof:smiles_string Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C

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=57062-46-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=96-69-5 enrich_references.consensus_cas_link
cdc.gov https://www.cdc.gov/niosh-rtecs/GP3010B0.html enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.297 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021341 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=35388 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1526319 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3CA5G9822V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247683 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.161F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7308 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124502 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q20965073 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f00b1df1-cd14-4626-80d2-74d82d224b4a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5cbc0068-c7b4-483b-bc09-53f2a2e2f550 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
26e1abeb-ddd1-4c36-979b-e70384e11c38 Environmental → Air → Indoor EF 3.1 kg 2
733efff3-1bc3-4da9-8f0d-cd58a27e335f Environmental → Air → Long-term EF 3.1 kg 0
75ea8fff-f6fe-4563-939a-f9b3e910701f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
72e1a7ce-14a0-484b-9313-bbbb291176a7 Environmental → Air → Unknown EF 3.1 kg 2
1be0d882-0ccd-4aaa-a639-7938145159da Environmental → Ground → Agricultural EF 3.1 kg 2
fe7bf833-f960-45c9-a21b-07cc6923b706 Environmental → Ground → Non-agricultural EF 3.1 kg 2
629471a8-c187-45ab-8f7b-84f06b84abe3 Environmental → Ground → Unknown EF 3.1 kg 2
3a89562c-81dc-4751-9159-08ee1d1bd598 Environmental → Water → Long-term EF 3.1 kg 0
0f7843fa-3717-4308-9e62-5aedbeb2ffe6 Environmental → Water → Ocean EF 3.1 kg 2
a224d5a7-6de9-40ab-8548-df6018f6a3de Environmental → Water → Surface water EF 3.1 kg 2
65a60aa0-898d-48b6-9929-3e06474c35ce 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-52089ad17d7c2b9c",
  "prefLabel": [
    {
      "@value": "6,6'-di-tert-butyl-4,4'-thiodi-m-cresol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene",
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        ],
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      }
    },
    {
      "@value": "2,2′-Di-tert-butyl-5,5′-dimethyl-4,4′-thiodiphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "4,4′-Bis(6-tert-butyl-m-cresol) sulfide",
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    },
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      "@value": "4,4′-Thiobis(3-methyl-6-tert-butylphenol)",
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    {
      "@value": "4,4′-Thiobis[2-(1,1-dimethylethyl)-5-methylphenol]",
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    },
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      "@value": "Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide",
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      "@value": "Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide",
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    },
    {
      "@value": "Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide",
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    },
    {
      "@value": "Disperse MB 61",
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    },
    {
      "@value": "Durad AX 16",
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    },
    {
      "@value": "Lowinox 44S36",
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      }
    },
    {
      "@value": "Lowinox Rosin 6",
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    },
    {
      "@value": "Lowinox TBM 6",
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    },
    {
      "@value": "Lowinox TBM 6P",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Cresol, 4,4′-thiobis[6-tert-butyl-",
      "@language": "en",
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    },
    {
      "@value": "Nonflex BPS",
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    {
      "@value": "Nonflex BPS-R",
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    },
    {
      "@value": "Phenol, 4,4′-thiobis[2-(1,1-dimethylethyl)-5-methyl-",
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    },
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      "@value": "Santonox",
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    },
    {
      "@value": "Santonox BM",
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    },
    {
      "@value": "Santonox R",
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