HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octocrilen
UV-3039 · octocrilene · PARSOL 340 · 2-ETHYLHEXYL 2-CYANO-3,3-DIPHENYLACRYLATE · Octocrilen · Mr Lin · LGB-OCT · Aokelilin
Identifikatoren & physikalische Daten
| CAS No. | 6197-30-4 |
|---|---|
| Summenformel | C24H27NO2 |
| Durchschnittliche Molmasse | 361,5 g/mol |
| Monoisotopische Masse | 361,2041791 g/mol |
| SMILES | CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 |
| InChIKey | FMJSMJQBSVNSBF-UHFFFAOYSA-N |
| PubChem CID | 22571 |
| ChEMBL | CHEMBL1201147 |
| ChEBI | CHEBI:135526 |
| EC No. | 228-250-8 |
| DTXSID | DTXSID9025299 |
| Lokaler Name | Octocrilen |
Chemische & physikalische Eigenschaften
| XLogP | 7,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 510 |
| Stoffklassen | UV filter |
| Kosmetika | Uv absorberUv filter |
| Duftstoffe | Fragrance Ingredient (2-_Propenoic acid, 2-_cyano-_3,_3-_diphenyl-_, 2-_ethylhexyl ester) -> IFRA transparency List |
| Löslichkeit | Insoluble (NTP, 1992)Chloroform (Slightly), Methanol (Sparingly) |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Physical Description | 2-ethylhexyl-2-cyano-3,3-diphenylacrylate is a yellow viscous liquid. Insoluble in water. (NTP, 1992) |
| Collision Cross Section | 193.47 Ų [M+H]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+] |
| Schmelzpunkt | -10 °C (lit.) |
| Siedepunkt | 218 °C/1.5 mmHg (lit.) |
| Dichte | 1.051 g/mL at 25 °C (lit.) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | n20/D 1.567(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 15-25°C |
| Aggregatzustand | Oil |
| Farbe | Colourless to Light Yellow |
| Geruch | Mild characteristic odor |
| Merck | 14,6756 |
| Kosmetik-Inhaltsstoffe Funktionen | LIGHT STABILIZERUV ABSORBERUV FILTER |
| 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 |
| InChIKey | FMJSMJQBSVNSBF-UHFFFAOYSA-N |
| SMILES | CCCCC(CC)COC(=O)\C(C#N)=C(/c1ccccc1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 6.1 at 23℃ |
| CAS Datenbank | 6197-30-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Ethylhexyl 2-cyano-3,3-diphenylacrylate (6197-30-4) |
| Absorption | uv max: 303 nm |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.5% (16 of 645) of reports.WarningH410 (42.6%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 645 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14858Octocrylene: Does not have an individual approval but may be used under an appropriate group standard |
| Brandgefahren | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| Reaktive Gruppe | Nitriles |
| Reactivity Alerts | Polymerizable |
| Reactivity Profile | 2-ETHYLHEXYL-2-CYANO-3,3-DIPHENYLACRYLATE is an acrylate ester derivative. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Aquatic Chronic 1 (42.6%) |
| Brandbekämpfung | This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with toluene followed by washing with a strong soap and water solution. Do no reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29269095 |
| RTECS-Nr. | UD3328750 |
| R-Sätze (R) | 52 |
| Toxizität | LD50 orl-rat: >5 g/kg NTIS** OTS0556792 |
| Sicherheitshinweise (S) | 29/56 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Beschreibung
Octocrylene (OCT) is a viscous, clear, colorlesss oi introduced in commercial sunscreens and anti-ageing creams about 15 years ago. It is the 2-ethylhexyl ester of 2-cyano-3,3-diphenylacrylic acid, with the extended conjugation of the acid portion that absorbs UVB and short-wave UVA (ultraviolet) rays, with wavelengths from 280 to 320 nm, which promote tanning but also contribute to the onset of sunburn and skin cancer. It is used in various body care products, in concentrations up to 10%, to provide an adequate sun-protection factor or to protect the body care formulations themselves from UV radiation[1].
Verwenden
Octocrylene is an ingredient used in sunscreens for its ability to absorb UV rays, protecting the skin from sun damage. It is chemically related to cinnamates. It can be used to boost SPF and improve water resistance in a given formulation. Octocrylene is photostable and can improve the photostability of other sunscreens. It is expensive and can present difficulties in formulation.