Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
이토크릴렌
이토크릴렌 · 에토크릴렌 · UV-3035 · ETOCRILENE · ETOCRYLENE · ETHYL 2-CYANO-3,3-DIPHENYLACRYLATE · ce2 · 2-Propenoicacid,2-cyano-3,3-diphenyl-,ethylester
식별자 및 물리적 특성
| CAS No. | 5232-99-5 |
|---|---|
| 분자식 | C18H15NO2 |
| 평균 분자량 | 277.3 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 이토크릴렌 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 50.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 411 |
| 물질 분류 | Other Uses -> SunscreensUV filter |
| 화장품 | Uv absorber |
| LogP(분배 계수) | log Kow = 4.01 /Estimated/ |
| Color/Form | Solid |
| 녹는점 | 95-97 °C97-99 °C(lit.) |
| 증기압 | 0.00000036 [mmHg]3.6X10-7 mm Hg @ 25 °C /Estimated/ |
| Food Contact Substances | FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| 헨리 상수 | 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/ |
| 끓는 점 | 174 °C0.2 mm Hg(lit.) |
| 밀도 | 1,05 g/cm3 |
| 굴절률 | 1.5100 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 메탄올에 용해됨 |
| 물리적 상태 | powder to crystal |
| 색상 | 흰색에서 거의 흰색 |
| 화장품 원료 기능 | 자외선 흡수제 |
| 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(분배 계수) | 4.520 (est) |
| EPA | Ethyl 2-cyano-3,3-diphenylacrylate (5232-99-5) |
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 유해성 요약 | An irritantMay cause skin sensitization[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (18.7%) |
| 처리 방법 | 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/ |
용도
개요
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.
용도
Ultraviolet screen.