2-エチルフェノール

化学名:2-エチルフェノール

CAS番号.90-00-6

英語名:2-Ethylphenol

CBNumberCB9748312

MFC8H10O

MW122.16

别名

2-エチルフェノール

フロロール

o-エチルフェノール

2-エチルフェノール物理性質

融点	-18 °C (lit.)
沸点	195-197 °C (lit.)
比重(密度)	1.037 g/mL at 25 °C (lit.)
屈折率	n20/D 1.536(lit.)
闪点	78 °C
貯蔵温度	Keep in dark place,Inert atmosphere,Room temperature
溶解性	Chloroform (Slightly), Methanol (Slightly)
外見	clear liquid
酸解離定数(Pka)	pK1:10.2 (25°C)
色	Colorless to Light yellow
水溶解度	不溶性
Merck	14,3839
BRN	1099397
Henry's Law Constant	2.1×10⁰ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
安定性：	安定。可燃性。酸塩化物、酸無水物、酸化剤とは混和しません。
InChI	1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey	IXQGCWUGDFDQMF-UHFFFAOYSA-N
SMILES	CCc1ccccc1O
LogP	2.470
CAS データベース	90-00-6(CAS DataBase Reference)
NISTの化学物質情報	Phenol, 2-ethyl-(90-00-6)
EPAの化学物質情報	o-Ethylphenol (90-00-6)

安全性情報

主な危険性	Xn,Xi,C
Rフレーズ	22-37/38-41-34-20/21/22
Sフレーズ	36/37/39-45-26
RIDADR	UN 3145 8/PG 2
WGK Germany	3
RTECS 番号	SL4025000
F	8
TSCA	TSCA listed
国連危険物分類	8
容器等級	III
HSコード	29071900
ストレージクラス	8A - Combustible corrosive hazardous materials
Hazard Classifications	Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3
有毒物質データの	90-00-6(Hazardous Substances Data)
消防法	危-4-3-III
化審法	(3)-500, (4)-57

危険有害性情報のコード(GHS)

外観
無色～うすい黄色透明液体
用途
医薬品や農薬の中間体および原料、光化学の原料
化学的特性
2-Ethylphenol is a colorless liquid. It is one of three isomeric ethylphenols. It has been used as a reagent for the synthesis of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists for the treatment of diabetes mellitus. 2-Ethylphenol has also been used in the preparation of aminoquinazoline-like toll receptor ligands and for potential immunotherapy.
使用
2-Ethylphenol is used as a reagent in the synthesis of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists used in the treatment of diabetes. It is also used in the preparation of aminoquinazolines as Toll-like receptor 4 ligands and potential immunotherapeutics.
製造方法
2-Ethylphenol is produced by ethylation of phenol using ethylene or ethanol in the presence of aluminium phenolate. It is a natural product found in Cichorium endivia, Saussurea involucrata, and other organisms with data available.
安全性プロファイル
Poison by intraperitoneal route. Moderately toxic by ingestion. Human toxic action similar to, but less severe than, that of phenol. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also PHENOL
純化方法
Purify as for p-ethylphenol below. [Beilstein 6 H 470, 6 IV 3011.]

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