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HCID 6997Erstellt: 26. Oktober 2026

2-Ethylphenol

https://huagongshe.com/de/chemical/6997

Molekülstruktur von 2-Ethylphenol

Identifikatoren & physikalische Daten

CAS No.25429-37-2
SummenformelC8H10O
Durchschnittliche Molmasse122,16 g/mol
Monoisotopische Masse122,07316494 g/mol
SMILESCCc1ccccc1O
InChIKeyIXQGCWUGDFDQMF-UHFFFAOYSA-N
PubChem CID6997
ChEMBLCHEMBL321029
ChEBICHEBI:34275
EC No.201-958-4
DTXSIDDTXSID1022479

Chemische & physikalische Eigenschaften

XLogP2,5
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität80,6
StoffklassenOther Classes -> Phenols
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
DuftstoffeFragrance Ingredient (2-Ethylphenol) -> IFRA transparency List
LogP (Verteilungskoeffizient)Log Kow = 2.472.36
GeruchPhenol odor
Dichte1.037 (USCG, 1999) - Denser than waterwill sink1.0146 @ 25 °C
AromastoffeEU Flavoring substances
Color/FormMETASTABLE & STABLE CRYSTAL FORMCOLORLESS LIQUID
Löslichkeitless than 1 mg/mL at 72 °F (NTP, 1992)PRACTICALLY INSOL IN WATERFREELY SOL IN ALCOHOLFREELY SOL IN BENZENE, GLACIAL ACETIC ACIDSOL IN ALL PROP IN ETHER, SOL IN ACETONEWater solubility = 5340 mg/l
Flammpunkt173 °F (NTP, 1992)78 °C
Siedepunkt400.14 °F at 760 mmHg (NTP, 1992)204.5 °C
Schmelzpunkt-18 °F (NTP, 1992)18 °C

Sicherheit & Vorschriften

GHS-EinstufungDangerH302 (64.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 464 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 99% (104 of 105) of all reports.Not Classified
Regulatorische InformationenChemical: Phenol, 2-ethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Phenol, 2-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-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, ethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.Phenol, 2-ethyl-: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - Phenol, 2-ethyl-: Environment tier I assessment
DOT-KennzeichnungCorrosive
BrandgefahrenSpecial Hazards of Combustion Products: Emits toxic fumes under fire conditions. (USCG, 1999)
GesundheitsgefahrenHarmful if swallowed, inhaled, or absorbed through skin. Irritating to mucous membranes, upper respiratory tract, eyes and skin. Can cause damage to the eyes and severe irritation or burn. (USCG, 1999)
GefahrenübersichtA skin, mucous membrane, and upper respiratory tract irritantMay cause damage to eyes[CAMEO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] See Phenol.
Reaktive GruppePhenols and Cresols
Reactivity ProfileETHYLPHENOL is incompatible with acid chlorides, acid anhydrides and oxidizing agents. (NTP, 1992). Weakly acidic.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (64.9%)Not ClassifiedAcute toxicity - category 4Flammable liquids - Category 4
BrandbekämpfungFire Extinguishing Agents: Carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Freisetung ohne BrandNeutralizing Agents for Acids and Caustics: Dry lime or soda ash. (USCG, 1999)
EntsorgungsverfahrenSRP: 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.
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Wear self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)
UmweltverhaltenTERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 530(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that 2-ethylphenol will have low to moderate mobility in soil(SRC). Limited data suggests that biodegradation of this compound under both aerobic(4) and anaerobic conditions(5) may be possible. 2-Ethylphenol's values for vapor pressure(6) and Henry's Law constant(6,7,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but is not likely to be a major fate process for this compound(SRC).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 530(SRC), determined from a measured log Kow(2) and a recommended regression-derived equation(3), indicates that 2-ethylphenol may adsorb to suspended solids and sediment(SRC) in the water column. Limited data suggest that biodegradation of this compound under both aerobic(4) and anaerobic conditions(5) may be possible. 2-Ethylphenol should volatilize from water surfaces based on an estimated Henry's Law constant of 4.6X10-6 atm-cu m/mole(SRC), from its experimental values for vapor pressure(6), and water solubility(7). Estimated half-lives for a model river and model lake are 9 and 68 days, respectively(3,SRC). An estimated BCF value of 44(3,SRC), from a measured log Kow(2), suggests that bioconcentration of 2-ethylphenol in aquatic organisms is moderate(SRC) according to a recommended classification scheme(8).ATMOSPHERIC FATE: According to a suggested classification scheme(1), a measured vapor pressure of 0.153 mm Hg at 25 °C(2) indicates that 2-ethylphenol will mainly exist in the vapor phase in the ambient atmosphere. Vapor-phase 2-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 9 hours(3,SRC).
Unerwünschte WirkungenDermatotoxin - Skin burns.
Effluent Concentrations2-Ethylphenol was detected in industrial wastewater from the following industries: petroleum refining (1 of 21 extracts), electronics (1 of 32 extracts), and publicly-owned treatment works (1 in 44 extracts)(1). 2-Ethylphenol was detected in a sample of finished drinking water from a plant in Philadelphia, PA, in February 1976(2). Wastewater from the gasification of Indian Head lignite coal in North Dakota contained 2-ethylphenol at an estimated concentration of 50 mg/L(3). 2-Ethylphenol was measured in coal conversion wastewaters for two different synthanes at 140-170 and 2185 mg/L(4).
Soil Adsorption/MobilityThe Koc of 2-ethylphenol is estimated as approximately 530(SRC), using a measured log Kow of 2.47(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-ethylphenol has moderate to low mobility in soil(SRC).
Natural Pollution SourcesEXTRACTED FROM THE WOOD OF OAK TREES. ORTHO- & PARA-ETHYLPHENOL WERE IDENTIFIED.
Human Toxicity Excerpts/TOXICITY/...SIMILAR TO, BUT LESS SEVERE THAN, PHENOL.
Artificial Pollution Sources2-Ethylphenol's production and use as a starting material for photochemicals(1) may result in its release to the environment through various waste streams(SRC). 2-Ethylphenol is also released in effluent streams from coal gasification plants(2,3).
Environmental BiodegradationTwo anaerobic digestors were inoculated with groundwater (2-ethylphenol present at 0.38 mg/L)23-42% of this compound was biodegraded over eight weeks(1). Pseudomonas strain FH23, isolated by enrichment culture with 4-hydroxybiphenyl, had a oxygen uptake rate of 31 nmol/min/mg protein when grown with 2-ethylphenol(2).
Environmental BioconcentrationAn estimated BCF value of 44 was calculated for 2-ethylphenol(SRC), using a measured log Kow of 2.47(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is moderate, not high(SRC).
Volatilization from Water/SoilThe Henry's Law constant for 2-ethylphenol is estimated as 4.6X10-6 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.153 mm Hg at 25 °C(1), and water solubility, 5340 mg/L at 25 °C(2). This value indicates that 2-ethylphenol 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 9 days(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 68 days(3,SRC). 2-Ethylphenol's values for vapor pressure(1) and estimated Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but is not likely to be a major fate process for this compound(SRC).
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of 2-ethylphenol with photochemically produced hydroxyl radicals has been estimated as 4.2X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 9 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). 2-Ethylphenol has a measured pKa of 10.2, indicating that under most environmental conditions this compound will exist mainly as the non-dissociated form(2).
Probable Routes of Human ExposureNIOSH (NOES Survey 1981-1983) has statistically estimated that 93 workers (56 of these are female) are potentially exposed to 2-ethylphenol in the USA(1). Thermal decomposition products which were released during the use of powder paint (an amine-cured epoxy powder paint is applied to metal objects and a protective film is formed by exposing the object to high temperatures) included 2-ethylphenol(2). The general population may be exposed via dermal contact or the inhalation of air containing this compound(SRC).