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HCID 12101생성일: 2026년 10월 27일

에틸페놀(3-)

에틸페놀(3-) · 3-에틸페놀 · M-ETHYLPHENOL · Phenol, 3-ethyl- · m-ethyl-pheno · 3-ethyl-pheno · M-ElhylPhenol · 3-ETHYLPHENOL

https://huagongshe.com/ko/chemical/12101

에틸페놀(3-) 분자 구조식

식별자 및 물리적 특성

CAS No.620-17-7
분자식C8H10O
평균 분자량122.16 g/mol
단동위원소 질량122.07316494 g/mol
SMILESCCc1cccc(O)c1
InChIKeyHMNKTRSOROOSPP-UHFFFAOYSA-N
PubChem CID12101
ChEMBLCHEMBL58052
ChEBICHEBI:34332
EC No.210-627-3
DTXSIDDTXSID0022480
현지명에틸페놀(3-)

화학 및 물리적 성질

XLogP2.4
극성 표면적20.2
수소 결합 공여자 수1
수소 결합 수용자 수1
회전 가능 결합 수1
무거운 원자 수9
형식 전하0
복잡도80.6
물질 분류Other Classes -> Phenols
SpringerMaterials PropertiesBoiling point
향료Fragrance Ingredient (3-Ethylphenol) -> IFRA transparency List
LogP(분배 계수)Log Kow = 2.40
밀도1.0283 @ 20 °C/4 °C1.001 g/mL at 25 °C (lit.)
향미제EU Flavoring substances
Color/FormCOLORLESS LIQUID
용해도SLIGHTLY SOLUBLE IN WATER, CHLOROFORMVERY SOLUBLE IN ALCOHOL, ETHER
끓는 점218.4 °C @ 760 MM HG212 °C750 mm Hg(lit.)
녹는점-4 °C
증기압0.05 [mmHg]0.05 mm Hg at 25 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
굴절률n20/D 1.533(lit.)
인화점202 °F
저장 조건Inert atmosphere,Room Temperature
물리적 상태투명한 액체
pKa(산도 계수)pK1:10.07 (25°C)
색상Colorless to Light orange to Yellow
냄새곰팡이 냄새
향취 유형곰팡내 나는
용해도물에 약간 용해됩니다.
BRN1857002
헨리 상수4.9×100 mol/(m3Pa) at 25℃, Karl et al. (2003)
화장품 원료 기능향수
InChI1S/C8H10O/c1-2-7-4-3-5-8(9)6-7/h3-6,9H,2H2,1H3
InChIKeyHMNKTRSOROOSPP-UHFFFAOYSA-N
SMILESCCc1cccc(O)c1
LogP(분배 계수)2.400
NIST3-Ethylphenol(620-17-7)
EPAm-Ethylphenol (620-17-7)

화학적 성질

clear brown liquid

안전 및 규제

GHS 분류DangerH301 (39%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 200 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]
규제 정보Chemical: Phenol, 3-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 3-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 3-ethyl- 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)Phenol, 3-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보IMAP assessments - Ethylphenols: Human health tier II assessment
유해성 요약An irritant[MSDSonline] See Phenol.
Hazard Classes and CategoriesAcute Tox. 3 (39%)Acute toxicity - category 4Acute toxicity (Oral) - Category 4
처리 방법SRP: 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.
환경 거동TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 480(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that 3-ethylphenol will have moderate mobility in soil(SRC). Based on limited data, biodegradation of this compound is likely. A system where water was passed through contaminated soil (initial 3-ethylphenol concn = 73 ug/L) and then through a upflow aerated column was capable of 93% removal in 37 days(4). 3-Ethylphenol's measured and estimated values for vapor pressure(5) and Henry's Law constant(6,SRC), respectively, indicate that volatilization from dry and moist soil surfaces is possible, but will not be a major fate process for this compound(SRC).

용도

용도

It is used as a photographic chemical intermediate and an intermediate for the cyan coupler of photographic paper. It has a wide application in fragrance industry.

제조 및 합성 방법

생산 방법

3-Ethylphenol is produced by sulfonation of ethylbenzene and subsequent alkali melt of the 3-ethylbenzenesulfonic acid obtained. By sulfonation under severe (thermodynamically controlled) conditions (200 ℃) the 4-ethylbenzenesulfonic acid formed initially isomerizes to form a mixture of 2-, 3-, and 4- ethylbenzenesulfonic acids in a ratio of ca. 2 : 58 : 40. The 2- and 4-ethylbenzenesulfonic acids are selectively hydrolyzed back to ethylbenzene and H2SO4 by blowing steam through the mixture at 150–170 ℃. 3-Ethylphenol is then obtained by alkali melt of the remaining 3-ethylbenzenesulfonic acid at 330–340 ℃ in up to 98% purity.

AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 480(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that 3-ethylphenol may adsorb to suspended solids and sediment(SRC) in the water. Based on limited data, biodegradation of this compound is likely. A system where water was passed through contaminated soil (initial 3-ethylphenol concn = 73 ug/L) and then through a upflow aerated column was capable of 93% removal in 37 days(4). 3-Ethylphenol should volatilize from water surfaces based on an estimated Henry's Law constant of 1.1X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). Estimated half-lives for a model river and model lake are 37 and 274 days, respectively(3,SRC). An estimated BCF value of 40(3,SRC), from an experimental log Kow(2), suggests that 3-ethylphenol may bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(6).
ATMOSPHERIC FATE: According to a suggested classification scheme(1), a measured vapor pressure of 0.05 mm Hg at 25 °C(2) indicates that 3-ethylphenol will mainly exist in the vapor phase in the ambient atmosphere. Vapor-phase 3-ethylphenol 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 5 hours(3,SRC).
Effluent ConcentrationsFinal effluent collected from the Los Angeles County wastewater treatment plant contained 3-ethylphenol at an average concentration of 15 ug/L(1). 3-Ethylphenol was detected at unreported concentrations in a groundwater plume emanating from the Hipps Road Landfill, Florida(2). 3-Ethylphenol was detected in industrial wastewater from the following industries: petroleum refining (1 of 21 extracts), organic chemicals (1 of 31 extracts), and publicly-owned treatment works (1 in 44 extracts)(3). 3- and 4-ethylphenol (mixed) were detected in cigarette smoke at 1.2-2.8 mg/100 cigarettes(4). 3-Ethylphenol was detected in wastewater from the gasification of Indian Head lignite coal(5).
Soil Adsorption/MobilityThe Koc of 3-ethylphenol is estimated as approximately 480(SRC), using a measured log Kow of 2.40(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 3-ethylphenol has moderate mobility in soil(SRC).
Natural Pollution SourcesA xylenol fraction boiling between 216 and 218 °C containing predominantly 3- and 4-ethylphenol is obtained from brown coal low-temperature tar and used in the varnish industry.Volcanic ash from Mount St. Helens, following th May 18, 1980 eruption, contained 3-ethylphenol(1).
Artificial Pollution Sources3-Ethylphenol's production and use in the manufacture of photochemicals and varnishes(1), may result in its release to the environment through various waste streams(SRC). 3-Ethylphenol is also released in effluent streams from coal gasification plants(3) and from cigarette smoke(2).
Environmental BiodegradationA lab-scale, upflow aerated column receiving water that had first passed through a soil sample, obtained from a former asphalt production plant, (3-ethylphenol influent initially at 73 ug/L) was capable of 93% removal of this compound within 37 days(1). An on-site (at the production plant) upflow aerated column and trickling filter, after 38 days of operation, removed 86% and 22% of the initial concentration of p-ethylphenol, respectively(1). Differences between lab scale and on-site reactors were due to differences in the hydraulic load(1). Pseudomonas strain FH23, isolated by enrichment culture with 4-hydroxybiphenyl, had a oxygen uptake rate of 9 nmol/min/mg protein when grown with 3-ethylphenol as the sole carbon source(2).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Environmental BioconcentrationAn estimated BCF value of 40 was calculated for 3-ethylphenol(SRC), using a measured log Kow of 2.40(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms may be an important fate process(SRC).
Volatilization from Water/SoilThe Henry's Law constant for 3-ethylphenol is estimated as 1.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 3-ethylphenol will volatilize from water surfaces(2,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 37 days(2,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 274 days(2,SRC). 3-Ethylphenol's values for vapor pressure(4) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but not likely to be a major fate process for this compound(SRC).
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of 3-ethylphenol with photochemically produced hydroxyl radicals has been estimated as 8.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). 3-Ethylphenol has a measured pKa of 9.9, indicating that under most environmental conditions this compound will exist mainly as the non-dissociated form(2).
Probable Routes of Human ExposureThe general population may be exposed to 3-ethylphenol by inhalation of cigarette smoke or dermal contact with products containing this compound. (SRC)
Environmental Water ConcentrationsGROUNDWATER: 3-Ethylphenol was detected in a leachate sample from Southington landfill, Connecticut at 0.2 mg/L(1).
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
운송 번호(UN)UN 3145 8/PG 3
관세 코드2907199090
위험 문구(R)20/21/22-36/37/38-34
위험 표시Xn,C
안전 문구(S)26-37/39-36/37-45-36/37/39
포장분류III
위험 등급8Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류10 - Combustible liquids
유해 물질 데이터620-17-7(Hazardous Substances Data)