기본 정보
- 표준 SMILES
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1- InChIKey
IAJNXBNRYMEYAZ-UHFFFAOYSA-N- 분자식
- C18H15NO2
- 평균 분자량
- 277.3 g/mol
- 단동위원소 질량
- 277.11027872
개요
Etocrylene is a small molecule drug. Etocrylene has a monoisotopic molecular weight of 277.11 Da.
이름 및 식별자
- 우선 이름
- Etocrylene
- IUPAC
- ethyl 2-cyano-3,3-diphenylprop-2-enoate
- 현지명
- 이토크릴렌
- 영어명
- Ethyl 2-cyano-3,3-diphenylacrylate
- 분자식
- C18H15NO2
- 분자량
- 277.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5232-99-5- PubChem CID
- 243274
- DTXSID
DTXSID9044821- ChEMBL
CHEMBL1889451- UNII
- 974109G71I
- EC Number
- 226-029-0
- Nikkaji
- J8.822F
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 50.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 411
실험 및 물리화학적 성질
Chemical Classes
Other Uses -> Sunscreens
UV filter
Vapor Pressure
0.00000036 [mmHg]
3.6X10-7 mm Hg @ 25 °C /Estimated/
Physical Description
Dry Powder; Other Solid
Solid; [HSDB] White odorless powder; [MSDSonline]
물리화학적 성질
- 녹는점
- 97 · 97-99 °C(lit.)
- 끓는 점
- 174 °C0.2 · 174 °C0.2 mm Hg(lit.)
- 밀도
- 1 · 1,05 g/cm3
- 굴절률
- 1.51 · 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
- 4.52 · 4.520 (est)
- EPA
- 2 · Ethyl 2-cyano-3,3-diphenylacrylate (5232-99-5)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 79% (169 of 214) of all reports.
Warning
H315 (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.
유해성 정보
Regulatory Information
Chemical: 2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester
2-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/16357
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
안전 및 보호
Disposal Methods
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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
독성 정보
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/
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AT6200000
- ridadr
- UN 3077 9/PG 3
- HS 번호
- 29269090
- risk_code
- 36/37/38-50/53
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61
- 기존화학 물질
- 97-3-119
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 5232-99-5(Hazardous Substances Data)
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Product Manufacturing
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: ACTIVE
응용 분야
개요Etocrylene (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.
용도Ultraviolet screen.
상·하류 제품 정보
상류 원료
공급사50 곳
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