octocrylene

Synonyms: "2-ethylhexyl 2-cyano-3,3-diphenylacrylate", "octocrilene", "2-cyano-3,3-diphenylacrylic acid 2-ethylhexyl ester", "2-ethylhexyl 2-cyano-3,3-diphenyl-2-acrylate", "2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate", "2-Ethylhexyl 2-cyano-3,3-diphenyl-2-propenoate", "Octocrilene (INN)", "Octocrilene [INN]".

Source: Octocrylene is a commonly used UV-blocker and sunscreen ingredient.

Identifiers:

IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
CAS Number: 6197-30-4
PubChem ID: 22571
InChiKey: FMJSMJQBSVNSBF-UHFFFAOYSA-N
Canonical SMILES: CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N

Structural Properties:

Molecular Formula: C₂₄H₂₇NO₂
Molecular Weight: 361.485

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 27

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kunz PY, Fent K. 2006. Multiple hormonal activities of UV filters and comparison of in vivo and in vitro estrogenic activity of ethyl-4-aminobenzoate in fish. Aquat Toxicol 79(4):305-324. DOI: 10.1016/j.aquatox.2006.06.016. URL: https://www.sciencedirect.com/science/article/pii/S0166445X06002700.