HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Etocrilen
UV-3035 · ETOCRILENE · ETOCRYLENE · ETHYL 2-CYANO-3,3-DIPHENYLACRYLATE · ce2 · 2-Propenoicacid,2-cyano-3,3-diphenyl-,ethylester · PCE-2 · uvinuln35
Identifikatoren & physikalische Daten
| CAS No. | 5232-99-5 |
|---|---|
| Summenformel | C18H15NO2 |
| Durchschnittliche Molmasse | 277,3 g/mol |
| Monoisotopische Masse | 277,11027872 g/mol |
| SMILES | CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1 |
| InChIKey | IAJNXBNRYMEYAZ-UHFFFAOYSA-N |
| PubChem CID | 243274 |
| ChEMBL | CHEMBL1889451 |
| EC No. | 226-029-0 |
| DTXSID | DTXSID9044821 |
| Lokaler Name | Etocrilen |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 411 |
| Stoffklassen | Other Uses -> SunscreensUV filter |
| Kosmetika | Uv absorber |
| LogP (Verteilungskoeffizient) | log Kow = 4.01 /Estimated/ |
| Color/Form | Solid |
| Schmelzpunkt | 95-97 °C97-99 °C(lit.) |
| Dampfdruck | 0.00000036 [mmHg]3.6X10-7 mm Hg @ 25 °C /Estimated/ |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Henry-Konstante | Henry's Law constant = 5.5X10-10 atm cu m/mol @ 25 °C /Estimated/ |
| Physical Description | Dry PowderOther Solid[HSDB] White odorless powder[MSDSonline] |
| Collision Cross Section | 180.6 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9044821] |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 1.1X10-11 cu cm/molecule-sec @ 25 °C /Estimated/ |
| Siedepunkt | 174 °C0.2 mm Hg(lit.) |
| Dichte | 1,05 g/cm3 |
| Brechungsindex | 1.5100 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Kosmetik-Inhaltsstoffe Funktionen | UV ABSORBER |
| InChI | InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3 |
| InChIKey | IAJNXBNRYMEYAZ-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)/C(/C#N)=C(/C1=CC=CC=C1)\C1=CC=CC=C1 |
| LogP (Verteilungskoeffizient) | 4.520 (est) |
| CAS Datenbank | 5232-99-5(CAS DataBase Reference) |
| EPA chemische Informationen | Ethyl 2-cyano-3,3-diphenylacrylate (5232-99-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 79% (169 of 214) of all reports.WarningH315 (18.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 214 reports by companies from 5 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-, ethyl ester2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl 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: 20-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/163572-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritantMay cause skin sensitization[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (18.7%) |
| Entsorgungsverfahren | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations. |
| Antidote and Emergency Treatment | /SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B//SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/ |
| Non-Human Toxicity Values | LD50 Mouse ip 100 mg/kg |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3077 9/PG 3 |
| Zollcode | 29269090 |
| RTECS-Nr. | AT6200000 |
| R-Sätze (R) | 36/37/38-50/53 |
| Gefahrensymbole | Xi,N |
| Sicherheitshinweise (S) | 26-36-60-61 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 5232-99-5(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Etocrylene (Ethyl 2-cyano-3,3-diphenylacrylate) is an organic ester that appears as an off-white crystalline powder and functions as a UV absorber. When applied to the skin, this product absorbs UV rays. It can also be used to protect cosmetics and personal care products from deterioration. This product can be used in the formulation of sun protection products, as well as bath, skin, cleansing, hair, nail and fragrance products.
Verwenden
Ultraviolet screen.