Octocrylene-13C3（Cat No.:R035233） is an isotopically labeled version of octocrylene, enhanced with three carbon-13 atoms. This modification improves the detection and quantification of octocrylene in environmental and biological samples, crucial for studies on UV filter persistence and bioaccumulation. Highly pure and stable, it is ideal for use in advanced chromatographic and spectroscopic techniques. Researchers in environmental science and cosmetic chemistry utilize this compound to assess the ecological impact and safety profile of sunscreen agents, ensuring precise and reliable data for regulatory and formulation assessments.
| Catalog Number | R035233 |
| CAS Number | NA |
| Synonyms | 2-Cyano-3,3-diphenylacrylic Acid-13C3, 2-Ethylhexyl Ester-13C3; 2-Cyano-3,3-diphenylacrylic Acid 2-Ethylhexyl Ester-13C3; 2-Ethylhexyl 2-Cyano-3,3-diphenyl-2-propenoate-13C3; 2-Ethylhexyl 2-Cyano-3,3-diphenylacrylate-13C3; 2-Ethylhexyl α-cyano-β,β’- |
| Molecular Formula | C₂₁¹³C₃H₂₇NO₂ |
| Purity | 95% |
| Storage | Room temperature |
| IUPAC Name | 2-ethylhexyl 2-(azanylidyne(113C)methyl)-3,3-diphenyl(1,2-13C2)prop-2-enoate |
| InChI | 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/i17+1,22+1,24+1 |
| InChIKey | FMJSMJQBSVNSBF-HWNUEYDISA-N |
| SMILES | CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N |
