Octocrylene
fo-75d97f7fac935391
Identity
- Type
- Neutral molecule
- CAS
- 6197-30-4
- EC
- 228-250-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 2-Cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester
- 2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate
- 2-ethylhexyl 2-cyano-3,3-diphenylacrylate
- 2-Ethylhexyl α-cyano-β,β′-diphenylacrylate
- 2-Ethylhexyl α-cyano-β-phenylcinnamate
- 2-Ethylhexyl-3,3-diphenylcyanoacrylate
- 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester
- 2′-Ethylhexyl 2-cyano-3-phenylcinnamate
- Acrylic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester
- Agent AT 539
- Eusolex OCR
- octocrilene
- Uvinul N 3039
- Uvinul N 539
- Uvinul N 539SG
- Uvinul N 539T
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FMJSMJQBSVNSBF-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 2-ethylhexyl 2-cyano-3,3-diphenylacrylate |
| Molecular formula chemrof:molecular_formula | C24H27NO2 |
| Molecular mass chemrof:molecular_mass | 361.485 |
| Monoisotopic mass chemrof:monoisotopic_mass | 361.204179, 361.20418 |
| SMILES string chemrof:smiles_string | CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 |
Known URLs
18Where 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=6197-30-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:135526 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.025.683 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9025299 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB09535 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:3395 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/3395 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1201147 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5A68WGF6WM | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0255910 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J8.358E | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D05227 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=71527 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C84027 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1201147 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/22571 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q424805 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Octocrylene | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0e2bc71f-d632-407b-a2dd-16d361ff53a9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| fbf3553f-89d1-4235-862f-6d4ba969a02b | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d0dac4af-74e2-4255-ae9c-58aab765ee89 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| d2a569e0-2419-4d73-862e-cadc009deead | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 83c565ab-e7a9-4a17-96cd-81a267fcb7bc | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d17eaf98-37e4-4ea3-a228-6af80ba4b4bf | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 824b9fce-dcde-481e-8972-58c1eff4a410 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 265e6a3d-67d4-4690-90f0-e373fd8dbcfc | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| c1150612-3028-420f-bc20-65bdf42063b4 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| ecae2f4a-c3a3-4064-b26b-041e2143b49f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| b4ce0252-791d-41b9-b833-6cc96fac6f85 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 1f77f0a0-0516-490d-9dc3-04d4d54bba8a | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 79cc4f24-f18f-4399-b8d8-7cc379e80a2c | 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