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HCID 8680Erstellt: 23. Oktober 2026

Sec-Butylbenzene

https://huagongshe.com/de/chemical/8680

Molekülstruktur von Sec-Butylbenzene

Identifikatoren & physikalische Daten

CAS No.135-98-8
SummenformelC10H14
Durchschnittliche Molmasse134,22 g/mol
Monoisotopische Masse134,10955045 g/mol
SMILESCCC(C)c1ccccc1
InChIKeyZJMWRROPUADPEA-UHFFFAOYSA-N
PubChem CID8680
ChEMBLCHEMBL27516
ChEBICHEBI:35097
EC No.205-227-0
DTXSIDDTXSID2022333

Chemische & physikalische Eigenschaften

XLogP4,2
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen2
Schwere Atome10
Formalladung0
Komplexität80
StoffklassenVolatile Organic Compound (VOC)
SolventsSolvents -> Aromatic Solvents
LogP (Verteilungskoeffizient)log Kow = 4.57
Dichte0.8580 g/cu cm @ 25 °C0.8580 @25 °C0.8580 g/cm3(Temp: 25 °C)
Color/FormColorless liquid
LöslichkeitIn water, 17.6 mg/L @ 25 °CMiscible with alcohol, ether, benzene
Flammpunkt126 °F (52 °C) closed cup
Siedepunkt173.5 °C173.5 °C @760 [mm Hg]
Schmelzpunkt-82.7 °C
Dampfdichte4.62 (Air=1)
Dampfdruck1.75 [mmHg]1.75 mm Hg @ 25 °C1.75 [mm Hg] @25 °C
Surface Tension0.02852 N/m @ 20 °C0.02803 N/m @ 25 °C0.02754 N/m @ 30 °C

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 6.9% (6 of 87) of reports.DangerH226 (74.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 87 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Benzene, (1-methylpropyl)-Hazard Traits - Nephrotoxicity and Other Toxicity to the Urinary SystemBenzene, (1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, (1-methylpropyl)- 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)s-Butylbenzene: Does not have an individual approval but may be used under an appropriate group standard
BrandpotenzialFlammable
GefahrenübersichtAn irritant[MSDSonline]
TSCA-AnforderungenPursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. sec-Butylbenzene is included on this list.
Flammable LimitsLower flammable limit: 0.8% by volumeUpper flammable limit: 6.9% by volume
DOT Emergency Guidelines/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot. /Butylbenzenes//GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Butylbenzenes//GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Butylbenzenes//GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Butylbenzenes/For more DOT Emergency Guidelines (Complete) data for Sec-BUTYLBENZENE (8 total), please visit the HSDB record page.
DOT Hazard Classification2-PhenylbutaneMarine pollutant
NFPA Hazard Classification1 - Materials that, under emergency conditions, can cause significant irritation.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.
Hazard Classes and CategoriesFlam. Liq. 3 (74.7%)Flammable liquids - Category 3
Landesrichtlinien für Trinkwasser(FL) FLORIDA 280 ug/l(NH) NEW HAMPSHIRE 260 ug/L
Shipment Methods and RegulationsNo person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.
Lower Explosive Limit (LEL)8000 [ppm]
BrandbekämpfungsverfahrenPersonnel protection: ... Wear positive pressure self-container breathing apparatus when fighting fires involving this material. ... /Butyl benzenes/If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources. /Butyl benzenes/
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Preventive MeasuresPersonnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. ... If contact with the material anticipated, wear appropriate chemical protective clothing. /Butyl benzenes/If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors. /Butyl benzenes/
Protective Action Criteria (PAC)5.8 [ppm]64 [ppm]380 [ppm]
Personal Protective Equipment (PPE)Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles. ... /Butyl benzenes/
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 7,200(SRC), determined from a log Kow of 4.57(2) and a regression-derived equation(3), indicates that sec-butylbenzene is expected to be immobile in soil(SRC). Volatilization of sec-butylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.018 atm-cu m/mole(SRC), derived from its vapor pressure, 1.75 mm Hg(4), and water solubility, 17.6 mg/L(5). However, adsorption to soil is expected to attenuate volatilization(SRC). The potential for volatilization of sec-butylbenzene from dry soil surfaces may exist(SRC), based upon its vapor pressure(4). Based on an aquatic biodegradation screening test, where sec-butylbenzene was found to degrade 56-67% after 5 days when incubated at 25 °C with activated sludge(6), sec-butylbenzene may biodegrade in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 7,200(SRC), determined from a log Kow of 4.57(2) and a regression-derived equation(3), indicates that sec-butylbenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.018 atm-cu m/mole(SRC), derived from its vapor pressure, 1.75 mm Hg(4), and water solubility, 17.6 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.4 hours and 4.6 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 88 days if adsorption is considered (6). According to a classification scheme(7), an estimated BCF of 660(SRC), from its log Kow of 4.57(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Based on an aquatic biodegradation screening test, where sec-butylbenzene was found to degrade 56-67% after 5 days when incubated at 25 °C with activated sludge(9), sec-butylbenzene may biodegrade in aquatic environments(SRC). sec-Butylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(10).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), sec-butylbenzene, which has a vapor pressure of 1.75 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase sec-butylbenzene 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 1.9 days(SRC), calculated from its rate constant of 8.5X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). sec-Butylbenzene is not expected to be susceptible to direct photolysis by sunlight(SRC), since it does not absorb light with wavelengths >290 nm(4).
LebensmitteluntersuchungswerteA total of 228 compounds, including sec-butylbenzene, were identified in the volatile flavor isolated from 540 pounds of baked potatoes(1). sec-Butylbenzene was detected in 5 foods of the 234 table-ready food items of the FDA Total Diet Studythe average concn was 5.67 ppb (range: 3.88-7.76 ppb), with the highest levels found in sauerkraut(2).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
Effluent Concentrationssec-Butylbenzene was detected in 1978 and 1983 at 10.7 and 11 ug/L, respectively, in the basin floodwater from the sewage treatment plant that treats domestic wastewater from Fort Devens, a US Army installation approximately 52 km northwest of Boston, MA(1,2). Emission from various stove and fuel types were measured for non-methane hydrocarbons in Chinasec-butylbenzene, in combination with 1,2,4-methylbenzene, was not detected in 12 of the 16 fuel/stove combinations(3). Emission factors for sec-butylbenzene and 1,2,4-trimethylbenzene were 1.77, 1.90, 1.47, and 0.030 mg of compound/kg dry fuel for honeycomb coal briquette with a metal coal stove with a flue and without a flue, coal powder with a metal coal stove with a flue, and coal gas with a traditional gas stove without a flue, respectively(3). sec-Butylbenzene was observed only at minor concns in the volatile organic compounds introduced in to the water by boats with combustion engines(4). sec-Butylbenzene was generally not detected effluent from 4 wastewater treatment plants in Milwaukee, WI, Akron, OH, Gary, IN, and Detroit, MIa maximum concn of 74 ppb was detected in the effluent of 1 plant in Akron, OH(5). sec-butylbenzene was measured at a concn of 160 ug/L in the formation water (the water produced with oil and gas) from offshore oil production operations in the Gulf of Mexico(6). sec-Butylbenzene was detected in industry average gasoline, EPA certification gasoline and M-85 (85% methanol, 15% gasoline), respectively, but was not detected in either exhaust or evaporative auto emissions(7). sec-Butylbenzene was identified in the volatile organic compounds releases from textile floor coverings(8).
Soil Adsorption/MobilityThe Koc of sec-butylbenzene is estimated as 7,200(SRC), using a log Kow of 4.57(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that sec-butylbenzene is expected to be immobile in soil.
Natural Pollution Sourcessec-Butylbenzene was detected in the air of the solfataric (volcanic area that gives off sulfurous gases and stems) fields of three active volcanoes on the Kunashir Islands off the coast of Russia in the Pacific Ocean(1).
Atmospheric ConcentrationsURBAN/SUBURBAN: sec-Butylbenzene concns in the air from the exhaust ventilation system of the Elbtunnel, a major highway tunnel in Hamburg, Germany at 4 sites were 0.9, 0.7, 0.8, and 0.9 ug/cu m(1). Concns of sec-butylbenzene ranged from 0-3 ppb volume in morning air from Los Angeles, CA samples from September-November 1981(2). Combined sec-butylbenzene and iso-butylbenzene concns ranged from 0.002 to 0.012 ppb volume in ambient air in the Los Angeles basin(3). The mean ambient urban concn of sec-butylbenzene combined with 1,2,4-trimethylbenzene in Porto Alegre, Brazil, March 20, 1996 to April 16, 1997 was 7.9 mg/cu mfurther analysis indicated that sec-butylbenzene accounted for <1% of the unresolved peak with 1,2,4-trimethylbenzene(4). sec-Butylbenzene was detected in the air in the Allegheny Mountain Tunnel of the Pennsylvania Turnpike in 1979(5). sec-Butylbenzene was identified in the air samples collected in Paris, France in the fall of 1972(6). According to a national survey of ambient air, which included five site types (remote, rural, suburban, urban, and source dominated) the average daily atmospheric concns of sec-butylbenzene was 0.033 and 0.049 ppb volume for 137 suburban and 279 urban samples, respectively(7).RURAL/REMOTE: sec-Butylbenzene was identified in forest air collected in the center of the Southern Black Forest (Kaelbelescheuer, Germany) in November 1984 and January 1985(1).SOURCE DOMINATED: sec-Butylbenzene was identified in the ambient air during 2 of 10 sample collections from the Kanawha Valley, WV, a heavily industrialized area with a wide variety of chemical industries(1). A survey of 8 different composting facilities found an average sec-butylbenzene air concn of 15 ug/cu m in 1 of the 10 areas sampled(2).
Artificial Pollution Sourcessec-Butylbenzene's production and use as a solvent for coating compositions, organic synthesis, plasticizer, and surface active agents(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: sec-Butylbenzene (100 mg/L) was found to degrade 56-67% after 5 days when incubated at 25 °C with activated sludge from a wastewater treatment plant receiving predominately domestic sludge(1). The mixed autochthonous flora in clean groundwater as an inoculum were capable to using the compounds in the water-soluble fraction of gas oil, including sec-butylbenzene, as the only carbon source(2). After 8 days of continuous percolation at 60 mL/hr no hydrocarbons were detectable by gas chromatography(2). In a Warburg test, sec-butylbenzene (500 ppm) reached 1.4-51.8% of its theoretical BOD in 6-192 hours at 20 °C and pH 7, using activated sludge that was acclimated to benzene(3). sec-Butylbenzene (500 mg/L) was found to reach 5.3% of it theoretical BOD after 24 hours in a Warburg test using sludge from a municipal plants in Ohio during Warburg tests(4). sec-Butylbenzene was slightly oxidized by a second sludge and was toxic to a third sludge from 2 other Ohio municipal plants(4). sec-Butylbenzene (500 mg/L) reached 32% of its theoretical BOD after 7.5 days in a Warburg test using activated sludge acclimated to aniline(5).
Sediment/Soil ConcentrationsSOIL: Soil samples were collected from 30 industrial sites in Taiwan (8 chemical and petrochemical industrial districts, 2 technology industrial parks, 11 general industrial districts, 2 metal processing areas, 2 oil refinery plants, 1 pesticide manufacturing plant, and 4 landfills) were monitored for 60 volatile organic chemicalssec-butylbenzene was detected, along with 2 other chemicals, with a frequency of approximately 0.4% in 705 soil samples(1).
Environmental BioconcentrationAn estimated BCF of 660 was calculated for sec-butylbenzene(SRC), using a log Kow of 4.57(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).
Volatilization from Water/SoilThe Henry's Law constant for sec-butylbenzene is estimated as 0.018 atm-cu m/mole(SRC) derived from its vapor pressure, 1.75 mm Hg(1), and water solubility, 17.6 mg/L(2). This Henry's Law constant indicates that sec-butylbenzene is expected to volatilize rapidly from water surfaces(3). 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)(3) is estimated as 3.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 4.6 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 88 days if adsorption is considered (4). sec-Butylbenzene's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, adsorption to soil is expected to attenuate volatilization(SRC). The potential for volatilization of sec-butylbenzene from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226