Consensus flow list

Identity

Type
Neutral molecule
CAS
474510-57-1
EC
444-860-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl) Benzyl) Phenyl)-2-methylpropan-1-one

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string PCKZAVNWRLEHIP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl) Benzyl) Phenyl)-2-methylpropan-1-one
Molecular formula chemrof:molecular_formula C21H24O4
Molecular mass chemrof:molecular_mass 340.419
Monoisotopic mass chemrof:monoisotopic_mass 340.167459
SMILES string chemrof:smiles_string CC(C)(O)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1

Known URLs

7

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=474510-57-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.103.987 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40621591 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IZJ9BVRDO7 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.065.980E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22019754 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72490480 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f1572a3c-c45f-4306-a57a-3f9fd8422ff9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6b81f767-c265-4e75-b2a3-3b4a14e382dd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9fbcfadf-a1e8-4137-9b45-d330e4058f42 Environmental → Air → Indoor EF 3.1 kg 4
da0b2804-3bb9-4a9d-b155-b6c19c1105fd Environmental → Air → Long-term EF 3.1 kg 0
967f8bb8-d9fb-41d0-9c67-b6e45e4a26bb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
c75d4f7d-0535-40a0-b65b-9277a5df8355 Environmental → Air → Unknown EF 3.1 kg 4
8dc5ed89-655f-4585-b0f9-f1c89f28f293 Environmental → Ground → Agricultural EF 3.1 kg 4
50baf76f-0831-40a7-a1d7-df3e38805b72 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d5e0d093-8bb1-46de-93f5-06d2110eeb5a Environmental → Ground → Unknown EF 3.1 kg 4
d6bdc782-6f46-4e39-b66d-9f64888e2b9d Environmental → Water → Long-term EF 3.1 kg 0
3a5b97bf-79cf-494a-91fa-b9f4095b24c5 Environmental → Water → Ocean EF 3.1 kg 4
2e25b15d-0dd7-4f03-a48a-a2487fe3f628 Environmental → Water → Surface water EF 3.1 kg 4
9c8291e8-822a-477d-9da8-39844b9824f6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f7236110c314cfc2",
  "prefLabel": [
    {
      "@value": "2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl) Benzyl) Phenyl)-2-methylpropan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=474510-57-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanone, 1,1′-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1-[4-[4-(2-hydroxy-2-methyl-propionyl)-benzyl]-phenyl]-2-methyl-1-propan-1-one",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2-Hydroxy-1-[4-[4-(2-hydroxy-2-methylpropionyl)benzyl]phenyl]-2-methylpropan-1-one",
      "@language": "en",
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    },
    {
      "@value": "Bis[4-(2-hydroxy-2-methylpropionyl)phenyl]methane",
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}

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