Consensus flow list

Identity

Type
Neutral molecule
CAS
70356-09-1
EC
274-581-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Avobenzone

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XNEFYCZVKIDDMS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3
IUPAC name chemrof:IUPAC_name 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Molecular formula chemrof:molecular_formula C20H22O3
Molecular mass chemrof:molecular_mass 310.393
Monoisotopic mass chemrof:monoisotopic_mass 310.15689, 310.156895
SMILES string chemrof:smiles_string COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1

Known URLs

22

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=70356-09-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:134751 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.067.779 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9044829 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB09495 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4242 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4242 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758680 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200522 enrich_references.pubchem_identifier_url
glycosmos.org https://glycosmos.org/glycans/show/G58983DB enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G63QQF2NOX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248746 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J149.841J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03015 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71539 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47406 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/Q93RBW2JTAV4 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1200522 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/51040 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/45045 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2775914 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Avobenzone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f6a4109f-b6cb-4bd8-a0f2-49f2c693d91c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a748d249-8f3d-452c-be0f-0b7ee48ebda2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
82c8f3f2-0566-468f-a1d4-52e1cc7b1cfe Environmental → Air → Indoor EF 3.1 kg 4
f85588c4-b8a5-4b0d-b721-68976421c27d Environmental → Air → Long-term EF 3.1 kg 0
17a40c26-1fef-42fa-b048-a23a4a2231c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
780a7b14-61e6-4c08-9980-157fa9a3801e Environmental → Air → Unknown EF 3.1 kg 4
0f115a4b-cb12-46d6-b813-57dac7340d0f Environmental → Ground → Agricultural EF 3.1 kg 4
f4e9f4a4-4967-4a50-a1eb-e8deb415e07c Environmental → Ground → Non-agricultural EF 3.1 kg 4
e33dcc72-a806-41f2-a5e0-0a3fc450a4f9 Environmental → Ground → Unknown EF 3.1 kg 4
72dd9655-3de6-43ac-b707-44e36a3de508 Environmental → Water → Long-term EF 3.1 kg 0
f60b93eb-0c3e-4e12-a796-74e5cf6b94e0 Environmental → Water → Ocean EF 3.1 kg 4
29e91b5c-da00-48e5-89bb-bea46c39b0fe Environmental → Water → Surface water EF 3.1 kg 4
81e7ae55-4e0d-4e6b-8433-76bafb0eefb3 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-4fa19ae35929b0f3",
  "prefLabel": [
    {
      "@value": "Avobenzone",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-",
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    },
    {
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    },
    {
      "@value": "1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "1-(4′-tert-Butylphenyl)-3-(4′-methoxyphenyl)propane-1,3-dione",
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    },
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    },
    {
      "@value": "4-(1,1-Dimethylethyl)-4′-methoxydibenzoylmethane",
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    },
    {
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    },
    {
      "@value": "NeoHeliopan 357",
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    },
    {
      "@value": "Uvinul BMBM",
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