基本情報
- 標準SMILES
CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1- InChIKey
IAJNXBNRYMEYAZ-UHFFFAOYSA-N- 分子式
- C18H15NO2
- 平均分子量
- 277.3 g/mol
- 単同位体質量
- 277.11027872
概要
Etocrylene is a small molecule drug. Etocrylene has a monoisotopic molecular weight of 277.11 Da.
名称と識別子
- 優先名称
- Etocrylene
- IUPAC
- ethyl 2-cyano-3,3-diphenylprop-2-enoate
- 現地名
- エトクリレン
- 英語名
- Ethyl 2-cyano-3,3-diphenylacrylate
- 分子式
- C18H15NO2
- 分子量
- 277.32
名称と別名
名称をさらに表示
データベース識別子
- CAS
5232-99-5- PubChem CID
- 243274
- DTXSID
DTXSID9044821- ChEMBL
CHEMBL1889451- UNII
- 974109G71I
- EC Number
- 226-029-0
- Nikkaji
- J8.822F
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 50.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 5
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 411
実験および物理化学的性質
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]
物理化学的性質
- 融点
- 97 · 97-99 °C(lit.)
- 沸点
- 174 °C0.2 · 174 °C0.2 mm Hg(lit.)
- 比重(密度)
- 1 · 1,05 g/cm3
- 屈折率
- 1.51 · 1.5100 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 色
- White to Almost white
- 化粧品成分の機能
- 紫外線吸収剤
- 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)
- CAS データベース
- 5232 · 5232-99-5(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Ethyl 2-cyano-3,3-diphenylacrylate (5232-99-5)
安全と法規制
GHS分類
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.
危険有害性情報
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
安全と保護具
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.
毒性情報
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/
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AT6200000
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29269090
- risk_code
- 36/37/38-50/53
- 化審法
- (2)-2792, (4)-262
- hazard_code
- Xi,N
- safety_code
- 26-36-60-61
- 毒劇物取締法
- 劇物
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 5232-99-5(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing Information
Plastics Product Manufacturing
2-Propenoic acid, 2-cyano-3,3-diphenyl-, ethyl ester: ACTIVE
応用分野
説明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.
使用Ultraviolet screen.
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義本品は、次の化学式で表される芳香族化合物である。
関連反応
関連ノート
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