Avobenzone
fo-4fa19ae35929b0f3
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
Alternative labels
17- 1,3-Propanedione, 1-[4-(1,1-dimethylethyl)phenyl]-3-(4-methoxyphenyl)-
- 1-(4-Methoxyphenyl)-3-(4-tert-butylphenyl)propane-1,3-dione
- 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propan-1,3-dione
- 1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
- 1-(4′-tert-Butylphenyl)-3-(4′-methoxyphenyl)propane-1,3-dione
- 1-[4-(1,1-Dimethylethyl)phenyl]-3-(4-methoxyphenyl)-1,3-propanedione
- 3-(4-Methoxyphenyl)-1-(4-tert-butylphenyl)-1,3-propanedione
- 4-(1,1-Dimethylethyl)-4′-methoxydibenzoylmethane
- 4-Methoxy-4′-tert-butyldibenzoylmethane
- 4-tert-Butyl-4′-methoxydibenzoylmethane
- butylmethoxydibenzoylmethane
- NeoHeliopan 357
- Parsol A
- Parsol RTM 1789
- photoplex
- Solarom BMBM
- Uvinul BMBM
Properties
| Property | Value |
|---|---|
| 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
22Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works