2-Ethylhexyl 4-methoxycinnamate - CAS 5466-77-3

Catalog:	BB028759
Product Name:	2-Ethylhexyl 4-methoxycinnamate
CAS:	5466-77-3
Synonyms:	2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
Application:	Cosmetics

Technical Data

IUPAC Name:	2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Description:	Octinoxate is an organic compound that is an ingredient in some sunscreens and lip balms used in sunscreens and other cosmetics.
Molecular Weight:	290.40
Molecular Formula:	C18H26O3
Canonical SMILES:	CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC
InChI:	InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3
InChI Key:	YBGZDTIWKVFICR-UHFFFAOYSA-N
Boiling Point:	198-200 °C
Melting Point:	less than -13 °F
Flash Point:	193 °C
Purity:	> 98 %
Density:	1.009 g/cm³
Solubility:	Soluble in DMSO
Appearance:	Clear colorless oil
Storage:	Store at -20 °C
LogP:	4.46800
Quality Standard:	Enterprise Standard/USP
Refractive Index:	1.55
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.000014 [mmHg]

GHS Hazard Statement:	Not Classified
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
DE-202021002752-U1	Functionalized pieces of ice	20210824
CN-113425651-A	Cosmetic composition with whitening effect and application thereof	20210818
CN-113491640-A	Sunscreen composition and preparation method thereof	20210816
CN-113425649-A	Sunscreen synergistic composition, cosmetic composition and preparation method thereof	20210812
CN-113499273-A	Hair dye containing salidroside nanoparticles and preparation method and use method thereof	20210730

PMID	Publication Date	Title	Journal
34383603	20210801	Multi- and Transgenerational Outcomes of an Exposure to a Mixture of Endocrine-Disrupting Chemicals (EDCs) on Puberty and Maternal Behavior in the Female Rat	Environmental health perspectives
32603427	20200901	The UVR Filter Octinoxate Modulates Aryl Hydrocarbon Receptor Signaling in Keratinocytes via Inhibition of CYP1A1 and CYP1B1	Toxicological sciences : an official journal of the Society of Toxicology
28235592	20170415	Steroid profiling in H295R cells to identify chemicals potentially disrupting the production of adrenal steroids	Toxicology
28959646	20170101	Neurotoxic effect of active ingredients in sunscreen products, a contemporary review	Toxicology reports
27633901	20161201	Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays	Toxicology in vitro : an international journal published in association with BIBRA

Complexity:	304
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	290.18819469
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	290.18819469
Rotatable Bond Count:	10
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	5.3