Consensus flow list

Identity

Type
Neutral molecule
CAS
110675-26-8
EC
438-600-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4-bis(dodecylthiomethyl)-6-methyl-phenol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VTFXHGBOGGGYDO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3
IUPAC name chemrof:IUPAC_name 2,4-bis(dodecylthiomethyl)-6-methyl-phenol
Molecular formula chemrof:molecular_formula C33H60OS2
Molecular mass chemrof:molecular_mass 536.976
Monoisotopic mass chemrof:monoisotopic_mass 536.408559
SMILES string chemrof:smiles_string CCCCCCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCCCCCC)c1

Known URLs

8

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=110675-26-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.543 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.935 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80869536 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HUC0447MPD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.450.028D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6850816 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27280110 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
de666e83-6977-471c-9dbb-54c9c8871f35 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
cfe290f8-4208-4afe-9b52-2d8fee8d65f0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b045b196-28c7-4c91-a153-2518b7a4090b Environmental → Air → Indoor EF 3.1 kg 4
34e25ff3-1424-474b-a3c8-f706c32b2ec2 Environmental → Air → Long-term EF 3.1 kg 0
416060eb-3a75-4b2a-98e8-3e6a7292322b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
828260d6-43a0-461a-bf78-c21568966ce6 Environmental → Air → Unknown EF 3.1 kg 4
f859105d-a35e-451f-aaaf-2bc7443f32dc Environmental → Ground → Agricultural EF 3.1 kg 4
89fea24f-6184-428d-9ae2-df6993aa5a01 Environmental → Ground → Non-agricultural EF 3.1 kg 4
aba26c81-bfde-49a2-aeb9-adedc38fbb9c Environmental → Ground → Unknown EF 3.1 kg 4
25dfecf2-4739-419f-904c-9a890e92ced6 Environmental → Water → Long-term EF 3.1 kg 0
de3bffc5-37a2-450f-a0c3-225bb437a94e Environmental → Water → Ocean EF 3.1 kg 4
13242a9b-ea3f-4b53-96e9-aa456043d1cc Environmental → Water → Surface water EF 3.1 kg 4
c921aae5-e049-44b3-b7b6-de756e1bbecd 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-77ca435c01ccb13e",
  "prefLabel": [
    {
      "@value": "2,4-bis(dodecylthiomethyl)-6-methyl-phenol",
      "@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": "2,4-Bis(dodecylsulfanylmethyl)-6-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=110675-26-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Bis(dodecylthiomethyl)-6-methylphenol",
      "@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": "2,4-Bis(n-dodecylthiomethyl)-6-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Bis[(dodecylthio)methyl]-6-methylphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,4-Di(dodecylthiomethyl)-6-methylphenol",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,6-Bis(dodecylthiomethyl)-o-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "Antage HP 500",
      "@language": "en",
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    },
    {
      "@value": "Phenol, 2,4-bis[(dodecylthio)methyl]-6-methyl-",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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}

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