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
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.
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 |
