Consensus flow list

Octabenzone

fo-ad1a81950bc13e24

Identity

Type
Neutral molecule
CAS
1843-05-6
EC
217-421-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Octabenzone

Alternative labels

35

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QUAMTGJKVDWJEQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3
IUPAC name chemrof:IUPAC_name (2-Hydroxy-4-octoxyphenyl)-phenylmethanone
Molecular formula chemrof:molecular_formula C21H26O3
Molecular mass chemrof:molecular_mass 326.436
Monoisotopic mass chemrof:monoisotopic_mass 326.18819, 326.188195
SMILES string chemrof:smiles_string CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1

Known URLs

18

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=1843-05-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135390 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.838 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027441 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB20180 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3392 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3392 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=163400 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1977129 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/73P3618V2E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.792E enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00441 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155678 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C74364 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15797 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=127439 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q7076680 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Octabenzone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bfb9c8e0-2fcb-408c-a44e-ac10843b56bb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b51a452a-d961-46cc-9b3d-e80ec9cd2386 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7c265210-137c-48cc-9c0a-486683b3b076 Environmental → Air → Indoor EF 3.1 kg 4
d02feddf-b2f7-4e60-b26f-1b6bd8d1957e Environmental → Air → Long-term EF 3.1 kg 0
5709d304-fc4a-4ebd-a4cb-6862a4a03ac9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e20c2861-a9ed-4994-aa39-13a37a9c2b1b Environmental → Air → Unknown EF 3.1 kg 4
ce6dce8e-3aef-447d-baea-f840e01ffdaa Environmental → Ground → Agricultural EF 3.1 kg 4
fd86d7f6-def2-4d1b-b7dc-4acdfb925ded Environmental → Ground → Non-agricultural EF 3.1 kg 4
3da68487-8ba8-4d49-b49d-0ed393cd49bc Environmental → Ground → Unknown EF 3.1 kg 4
8bb44d21-bde4-499d-a24b-13a95f2ce73a Environmental → Water → Long-term EF 3.1 kg 0
d0e12beb-b62f-4d64-8e0f-79e1dd77f286 Environmental → Water → Ocean EF 3.1 kg 4
f5cdb977-3a73-4dc6-a345-9610be97164f Environmental → Water → Surface water EF 3.1 kg 4
7b2e1898-5c1c-455f-8b50-ea0b6a66d3d1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ad1a81950bc13e24",
  "prefLabel": [
    {
      "@value": "Octabenzone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Hydroxy-4-octoxyphenyl)-phenylmethanone",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Benzoyl-5-octyloxyphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "2-Hydroxy-4-(n-octyloxy)benzophenone",
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    },
    {
      "@value": "2-Hydroxy-4-(octyloxy)benzophenone",
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    },
    {
      "@value": "2-Hydroxy-4-n-octoxybenzophenone",
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    {
      "@value": "2-Hydroxy-4-octoxybenzophenone",
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    },
    {
      "@value": "4-(Octyloxy)-2-hydroxybenzophenone",
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    },
    {
      "@value": "4-n-Octyloxy-2-hydroxybenzophenone",
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    },
    {
      "@value": "[2-Hydroxy-4-(octyloxy)phenyl]phenylmethanone",
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    {
      "@value": "Adeka Stab LA 1413",
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    },
    {
      "@value": "ADK Stab 1413",
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    {
      "@value": "ADK Stab LA 1413",
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    },
    {
      "@value": "Advastab 46",
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    },
    {
      "@value": "Anti-UV P",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Benzon OO",
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    },
    {
      "@value": "Benzophenone 12",
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        ],
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      }
    },
    {
      "@value": "Benzophenone, 2-hydroxy-4-(octyloxy)-",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chemisorb 81",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Chimassorb 81",
      "@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": "Cyasorb UV 531",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cyasorb UV 532",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1843-05-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cytec UV 531",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Hostavin ARO 8",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=1843-05-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lowilite 22",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanone, [2-hydroxy-4-(octyloxy)phenyl]phenyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ongrostab HOB",
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      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Rhodialux P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Riasorb UV 531",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1843-05-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Seikalizer E",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Specta-Sorb UV 531",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spectra-Sorb UV 531",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tinuvin UV 531",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "UVABZP 81",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Uvinul M 408",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Zislizer E",
      "@language": "en",
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      "provenance": {
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      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C21H26O3"
      ],
      "attested_by": {
        "C21H26O3": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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