2-Ethylhexyl 4-methoxycinnamate

Product Information

Molecular Formula:
C18H26O3
Molecular Weight:
290.40
Description
Octinoxate is an organic compound that is an ingredient in some sunscreens and lip balms used in sunscreens and other cosmetics.
Synonyms
2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate
IUPAC Name
2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate
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
Application
Cosmetics
Storage
Store at -20 °C
Refractive Index
1.55
Stability
Stable under recommended storage conditions
LogP
4.46800
Vapor Pressure
0.000014 [mmHg]
Henry's Law Constant
8.5X10-6 atm-cu m/mol at 25 °C (est)
Odor
Practically odorless

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
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

Computed Properties

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

Patents

Publication Number Title Priority Date
CN-114146010-A Anhydrous sunscreen gel containing oil-soluble sunscreen agent and preparation method thereof 2021-12-31
CN-114159329-A Biological sun-screening agent and preparation method thereof 2021-12-27
JP-2022036169-A Paint materials consisting of cosmetics, diluents for paint materials, paints and paint sets 2021-12-27
JP-2022031399-A Transparent compositions and transparent cosmetics 2021-12-23
CN-114058271-A Adhesive film with different UV absorption wave bands and preparation method thereof 2021-12-22
CN-114177106-A Extraction method of marine organism protein peptide, hair care product and application of hair care product 2021-12-22
CN-114177111-A Sunscreen spray and preparation method thereof 2021-12-20
JP-2022031355-A Pest control method 2021-12-15
CN-114129471-A Suspension thickening composition and application thereof 2021-12-06
CN-114129459-A Fullerene sunscreen repair emulsion and preparation method thereof 2021-12-01

Literatures

PMID Publication Date Title Journal
34383603 2021-08-01 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 2020-09-01 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 2017-04-15 Steroid profiling in H295R cells to identify chemicals potentially disrupting the production of adrenal steroids Toxicology
27633901 2016-12-01 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
25305543 2015-07-01 Mixtures of environmentally relevant endocrine disrupting chemicals affect mammary gland development in female and male rats Reproductive toxicology (Elmsford, N.Y.)
25607892 2015-04-01 Differential gene expression patterns in developing sexually dimorphic rat brain regions exposed to antiandrogenic, estrogenic, or complex endocrine disruptor mixtures: glutamatergic synapses as target Endocrinology
25885102 2015-01-01 Sun lotion chemicals as endocrine disruptors Hormones (Athens, Greece)
23591065 2013-07-01 Effects of in vivo exposure to UV filters (4-MBC, OMC, BP-3, 4-HB, OC, OD-PABA) on endocrine signaling genes in the insect Chironomus riparius The Science of the total environment
23397585 2013-06-01 Monitoring of deiodinase deficiency based on transcriptomic responses in SH-SY5Y cells Archives of toxicology
23136952 2013-05-01 Photoexcited singlet and triplet states of a UV absorber ethylhexyl methoxycrylene Photochemistry and photobiology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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