Consensus flow list

Identity

Type
NeutralMolecule
CAS
27955-94-8
EC
405-800-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4, 4',4''-(ethan-1,1,1-triyl)triphenol

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BRPSWMCDEYMRPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3
IUPAC name chemrof:IUPAC_name 4, 4',4''-(ethan-1,1,1-triyl)triphenol
Molecular formula chemrof:molecular_formula C20H18O3
Molecular mass chemrof:molecular_mass 306.361
Monoisotopic mass chemrof:monoisotopic_mass 306.125594
SMILES string chemrof:smiles_string CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1

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=27955-94-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.736 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.132.615 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2037712 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL491936 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/25K43J16E2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J209.065A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93118 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=482373 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q24849250 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f2179c42-cffb-4b7b-bfbc-6385461b660b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a1047a87-b488-46a2-9c99-b4532f7388cc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e9943ab8-000c-4157-b3cb-7c2705faa6c4 Environmental → Air → Indoor EF 3.1 kg 4
021dcf8f-32ac-41e4-9954-66a44df3d86e Environmental → Air → Long-term EF 3.1 kg 0
c5106b71-8aca-4186-a060-9b307e310533 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5f8d0d05-dc21-4d0d-8ae5-54e3b93d27cf Environmental → Air → Unknown EF 3.1 kg 4
a153e5fb-4d84-441f-a886-563b409e465c Environmental → Ground → Agricultural EF 3.1 kg 4
5419d18c-365c-4136-8fe8-ea395e7206ea Environmental → Ground → Non-agricultural EF 3.1 kg 4
a11f113e-6d12-4320-aa47-4811502c47db Environmental → Ground → Unknown EF 3.1 kg 4
1201f59e-5068-4fea-b059-cbd5485d663c Environmental → Water → Long-term EF 3.1 kg 0
57e96c32-2c2e-49a6-b579-a7a8208bd31e Environmental → Water → Ocean EF 3.1 kg 4
2fb4700d-7b13-4d97-a61e-b1ce60b3c9cb Environmental → Water → Surface water EF 3.1 kg 4
baf8d428-b091-4d04-ab0a-7f65eb8c032e 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-e896b0b9beb644c9",
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      "@value": "4, 4',4''-(ethan-1,1,1-triyl)triphenol",
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  "altLabel": [
    {
      "@value": "1,1,1-[Tris(p-hydroxyphenyl)]ethane",
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    {
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    },
    {
      "@value": "4,4′,4′′-Ethane-1,1,1-triyltriphenol",
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    {
      "@value": "4,4′,4′′-Ethylidynetris[phenol]",
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    },
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      "@value": "Phenol, 4,4′,4′′-ethylidynetri-",
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      "@value": "Phenol, 4,4′,4′′-ethylidynetris-",
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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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