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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 7674作成日：2026年10月27日

フェネトール

フェネトール · フェニルエチルエーテル · 1-(エトキシ)ベンゼン · エトキシベンゼン · フェノールエチルエーテル · エチルフェニルエーテル · 1-エトキシベンゼン · エチルフェニルエ-テル

https://huagongshe.com/ja/chemical/7674

フェネトール の分子構造式

識別子と物理属性

CAS No.103-73-1
分子式C8H10O
平均分子量122.16 g/mol
単同位体質量122.07316494 g/mol
SMILESCCOc1ccccc1
InChIKeyDLRJIFUOBPOJNS-UHFFFAOYSA-N
PubChem CID7674
ChEMBLCHEMBL499585
ChEBICHEBI:67129
EC No.203-139-7
DTXSIDDTXSID7059278
現地名フェネトール

化学・物理的性質

XLogP2.5
極性表面積9.2
水素結合供与体数0
水素結合受容体数1
回転可能結合数2
重原子数9
形式電荷0
複雑度65
物質分類Other Classes -> Ethers, Other
SpringerMaterials PropertiesBoiling point
LogP（分配係数）Log Kow = 2.51
臭いDISTINCTIVE ODOR
密度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.)
ViscosityLiquid viscosity = 4.2389X10-3 Pa.s @ melting point
Color/FormOILY LIQCOLORLESS
溶解度SOL IN ETHANOL, ETHER, CARBON TETRACHLORIDEWater Solubility = 5.69X10+2 mg/L at 25 °Cアルコール: 易溶性(lit.)実質的に不溶
引火点145 °F (63 °C)OC135 °F
沸点171-173 °C169-170 °C(lit.)
融点-30.0 °C−30 °C(lit.)
蒸気圧1.53 [mmHg]Vapor pressure = 1.56 mm Hg at 25 °C1.53 MM HG @ 25 °C2.266hPa at 25℃
屈折率n20/D 1.507(lit.)
貯蔵条件Sealed in dry,Room Temperature
外観・状態液体
pKa（酸解離定数）0[at 20 ℃]
色無色透明～ごくわずかに黄色
比熱容量Cp(liquid): 1.87 J/(g·K), at 25℃
Merck14,7229
BRN636270
ヘンリー定数1.7×10-2 mol/(m3Pa) at 25℃, Li and Carr (1993)
誘電率4.2(20℃)
InChIKeyDLRJIFUOBPOJNS-UHFFFAOYSA-N
LogP（分配係数）2.041 at 23℃
CAS データベース103-73-1(CAS DataBase Reference)
NISTの化学物質情報Benzene, ethoxy-(103-73-1)
EPAの化学物質情報Benzene, ethoxy- (103-73-1)

化学的特性

CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全性と法規制

GHS 分類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]
規制情報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
有害性の概要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 Classification0 - 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 ChemicalPhenetoleD: 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 CategoriesFlam. Liq. 3 (100%)Flammable liquids - Category 3
Critical Temperature and PressureCritical Temperature: 647.15 deg K. Critical Pressure: 3.4248X10+6 Pa

用途

解説

ethoxybenzene．C8H10O(122.17)．C6H5OC2H2．フェネトールは，フェノールをヨウ化エチルあるいは硫酸ジエチルでエチル化すると得られる．芳香をもった液体．融点－33 ℃，沸点172 ℃．d2040.9666．n18.8D1.5084．エタノール，エーテルに易溶，水に不溶．特殊な溶剤に用いられる．森北出版「化学辞典（第2版）

用途

有機合成原料、香料材料。

用途

染料、香料、医薬などの合成中間体、また特殊溶剤として使用される。

説明

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.

使用

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

製法・合成法

純化方法

Small quantities of phenol can be removed by shaking with NaOH, but this is not a very likely contaminant of commercial material. Fractional distillation from sodium, at low pressures, probably gives adequate purification. It can be dissolved in diethyl ether and washed with 10% NaOH (to remove phenols), then water. The ethereal solution is evaporated, and the phenetole is fractionally distilled under vacuum. [Beilstein 6 H 140, 6 I 80, 6 II 142, 6 III 545.]

処分方法
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
環境中動態TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 550(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that phenetole will have low mobility in soil(SRC). Volatilization of phenetole may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 4.4X10-4 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5) and from dry soil surfaces(SRC) based on an experimental vapor pressure of 1.56 mm Hg(4). Biodegradation of phenetole is expected to be an important fate process in soil according to two biodegradation studies(6,7).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 550(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that phenetole may adsorb to suspended solids and sediment(SRC) in the water. Phenetole would volatilize from water surfaces based on an estimated Henry's Law constant of 4.4X10-4 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5). Estimated half-lives for a model river and model lake are 5 hours and 5 days, respectively(3,SRC). An estimated BCF value of 48(3,SRC), from an experimental log Kow(2), suggests that bioconcentration of phenetole may be moderate, not high(SRC) according to a classification scheme(6). Biodegradation of phenetole is expected to be an important fate process in water according to two biodegradation studies(7,8).ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 1.56 mm Hg at 25 °C(2,SRC) indicates that phenetole will exist in the vapor phase in the ambient atmosphere. Vapor-phase phenetole is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 14 hours(3,SRC).
有害作用Neurotoxin - Other CNS neurotoxin
Soil Adsorption/MobilityThe Koc of phenetole is estimated as approximately 550(SRC), using an experimental log Kow of 2.51(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that phenetole has low mobility in soil(SRC).
Artificial Pollution SourcesPhenetole's production and use as a chemical intermediate and in perfumery(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationA two-week biodegradation study using 30 mg/l sludge and a phenetole concentration of 100 mg/l gave a theoretical BOD of 63%(1). Using an electrolytic respirometer, phenetole had a theoretical BOD of 52-69% after a lag of 130-150 hours(2).
Environmental BioconcentrationAn estimated BCF value of 48 was calculated for phenetole(SRC), using an experimental log Kow of 2.51(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms may be moderate, not high(SRC).
Volatilization from Water/SoilThe Henry's Law constant for phenetole is estimated as 4.4X10-4 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 1.56 mm Hg(1), and water solubility, 569 mg/l(2). This value indicates that phenetole will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 5 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 5 days(3,SRC). Phenetole's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces may occur(SRC).
Non-Human Toxicity ExcerptsSLIGHTLY IRRITATING TO SKIN OF RABBITS. /FROM TABLE/
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of phenetole with photochemically produced hydroxyl radicals has been estimated as 2.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 14 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).
Probable Routes of Human ExposureOccupational exposure to ethers, such as phenetole(SRC), can occur through dermal contact, inhalation, and ingestion(1).
Environmental Water ConcentrationsSURFACE WATER: Phenetole was identified in Spirit Lake which is located within the blast zone of Mount St. Helens, Washington(1).
Environmental Fate/Exposure SummaryPhenetole's production and use as a chemical intermediate and in perfumery may result in its release to the environment through various waste streams. Phenetole has been identified in lake water. If released to soil, phenetole will have low mobility. Volatilization of phenetole may be important from moist and dry soil surfaces. Biodegradation of phenetole is expected to be an important fate process in soil and water according to two biodegradation studies. If released to water, phenetole may adsorb to suspended solids and sediment. Phenetole would volatilize from water surfaces with estimated half-lives for a model river and model lake of 5 hours and 5 days, respectively. An estimated BCF value of 48 suggests that bioconcentration of phenetole may be moderate, not high. If released to the atmosphere, phenetole will exist in the vapor phase. Vapor-phase phenetole is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals with an estimated half-life of about 14 hours. (SRC)
水環境危害等級（WGK）2
TSCA 収載状態TSCA listed
RTECS 番号SI7700000
輸送番号（UN）UN 1993 3/PG 3
毒性MLD in rats (mg/kg): 3500-4000 s.c. (Binet)
税関コード29093090
危険文句（R）10-34-11
化審法(3)-557
消防法危-4-2-III
危険表示F,C
安全措置（S）24/25-45-36/37/39-26-16
危険等級3
包装等級III
有害物質データ103-73-1(Hazardous Substances Data)