페네톨

페네톨 · ETHOXYBENZENE · ETHYL PHENYL ETHER · PHENYL ETHYL ETHER · phenetol · Phenoxyethane · PHENTOLE · PHENETOLE

식별자 및 물리적 특성

CAS No.	103-73-1
분자식	C8H10O
평균 분자량	122.16 g/mol
단동위원소 질량	122.07316494 g/mol
SMILES	CCOc1ccccc1
InChIKey	DLRJIFUOBPOJNS-UHFFFAOYSA-N
PubChem CID	7674
ChEMBL	CHEMBL499585
ChEBI	CHEBI:67129
EC No.	203-139-7
DTXSID	DTXSID7059278
현지명	페네톨

화학 및 물리적 성질

XLogP	2.5
극성 표면적	9.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	9
형식 전하	0
복잡도	65
물질 분류	Other Classes -> Ethers, Other
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	Log Kow = 2.51
냄새	DISTINCTIVE ODOR
밀도	0.967 @ 20 °C/4 °C% IN SATURATED AIR: 0.224DENSITY OF SATURATED AIR: 1.01 (AIR= 1.0)0.966 g/mL at 25 °C(lit.)
Viscosity	Liquid viscosity = 4.2389X10-3 Pa.s @ melting point
Color/Form	OILY LIQCOLORLESS
용해도	SOL IN ETHANOL, ETHER, CARBON TETRACHLORIDEWater Solubility = 5.69X10+2 mg/L at 25 °C알코올: 자유롭게 용해됨(lit.)
인화점	145 °F (63 °C)OC135 °F
끓는 점	171-173 °C169-170 °C(lit.)
녹는점	-30.0 °C−30 °C(lit.)
증기압	1.53 [mmHg]Vapor pressure = 1.56 mm Hg at 25 °C1.53 MM HG @ 25 °C2.266hPa at 25℃
굴절률	n20/D 1.507(lit.)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	액체
pKa(산도 계수)	0[at 20 ℃]
색상	투명하고 무색에서 아주 약간 노란색을 띤다.
용해도	실질적으로 불용성
비열	Cp(liquid): 1.87 J/(g·K), at 25℃
Merck	14,7229
BRN	636270
헨리 상수	1.7×10-2 mol/(m3Pa) at 25℃, Li and Carr (1993)
유전율	4.2(20℃)
InChIKey	DLRJIFUOBPOJNS-UHFFFAOYSA-N
LogP(분배 계수)	2.041 at 23℃
NIST	Benzene, ethoxy-(103-73-1)
EPA	Benzene, ethoxy- (103-73-1)

화학적 성질

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

안전 및 규제

GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 2 notifications to the ECHA C&L Inventory.H226: Flammable liquid and vapor [Warning Flammable liquids]
규제 정보	Chemical: Benzene, ethoxy-Status: Active Update: 07-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12309Benzene, ethoxy-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Oral LD50 (mouse) = 2200 mg/kgEffects in animal experiments include excitement, tremor, convulsions, and fatty liver degeneration[RTECS] May cause irritationEffects in high-dose animal studies include convulsions and fatty liver degeneration[MSDSonline]
NFPA Hazard Classification	0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions.
Peroxide Forming Chemical	PhenetoleD: Other compounds that may form peroxidesNo amount of peroxides were found in new commerically available containersRemoval of Peroxides from Ethers with Cerous Hydroxide
Hazard Classes and Categories	Flam. Liq. 3 (100%)Flammable liquids - Category 3
Critical Temperature and Pressure	Critical Temperature: 647.15 deg K. Critical Pressure: 3.4248X10+6 Pa

용도

개요

Phenetole is a colorless liquid which is prepared by etherification of phenol with ethyl chloride or diethyl sulfate. Phenyl ethyl ether is an intermediate in numerous organic syntheses.

용도

Ethoxybenzene (Phenetole) was used as an analyte in assaying the performance of the porous graphitic carbon (PGC) particles.