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HCID 7716作成日：2026年10月27日

Decylbenzene

https://huagongshe.com/ja/chemical/7716

Decylbenzene の分子構造式

識別子と物理属性

CAS No.104-72-3
分子式C16H26
平均分子量218.38 g/mol
単同位体質量218.20345083 g/mol
SMILESCCCCCCCCCCc1ccccc1
InChIKeyUZILCZKGXMQEQR-UHFFFAOYSA-N
PubChem CID7716
ChEBICHEBI:183288
EC No.203-230-1
DTXSIDDTXSID5051529

化学・物理的性質

XLogP7.7
極性表面積0
水素結合供与体数0
水素結合受容体数0
回転可能結合数9
重原子数16
形式電荷0
複雑度133
物質分類Other Classes -> Aromatic HydrocarbonsAlkylbenzene
SpringerMaterials PropertiesBoiling point
LogP（分配係数）log Kow= 7.377.4
密度0.855 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8555 @ 20 °C0.8555 g/cm3
Viscosity1.5327X10-2 Pa.s @ 253.15 K
Color/FormCOLORLESS LIQUID
溶解度INSOLUBLE IN WATERVery soluble in acetone, benzene, ethyl ether, and ethanol
引火点225 °F (USCG, 1999)225 °F (107 °C)
沸点572 °F at 760 mmHg (USCG, 1999)298 °C
融点-14.4 °C
蒸気圧0.00128 [mmHg]1.28X10-3 mm Hg @ 25 °C
Surface Tension3.4116X10-2 N/m @ 258.77 K

安全性と法規制

GHS 分類WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
輸送ラベル（DOT）Class 9
火災危険Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
健康有害性Inhalation of vapor causes slight irritation of nose and throat. Aspiration of liquid into lungs causes coughing, distress, and pulmonary edema. Ingestion causes irritation of stomach. Contact with vapor or liquid causes irritation of eyes and mild irritation of skin. (USCG, 1999)
有害性の概要An eye irritantA mild skin, nose, and throat irritant[CAMEO] An irritant[MSDSonline] See Dodecylbenzene.
反応性グループHydrocarbons, Aromatic
Reactivity ProfileVigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as N-DECYLBENZENE, and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction. May attack some forms of plastics (USCG, 1999).
Air and Water ReactionsInsoluble in water.
NFPA Hazard Classification2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions.
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Critical Temperature and Pressure
Critical temperature: 753 K, critical pressure: 1.77X10+6 Pa
Hazardous Reactivities and IncompatibilitiesMAY ATTACK SOME FORMS OF PLASTICS.
消火Fire Extinguishing Agents Not to Be Used: Water or foam may cause frothing.
応急処置INHALATION: move to fresh air.
消火手順DRY CHEMICAL, CARBON DIOXIDE.WATER OR FOAM MAY CAUSE FROTHING.
非火災時の漏出対応Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
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.
Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Personal Protective Equipment (PPE)Goggles or face shieldrubber gloves (USCG, 1999)
環境中動態TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 2.4X10+5(SRC), determined from a regression derived equation(2), indicates that decylbenzene is expected to be immobile in soil(SRC). Microbial metabolism is expected to be the primary degradation process for linear alkyl benzenes(LAB) in nature(3). LAB undergoes rapid primary biodegradation in natural waters and the same is expected to occur in soil environments(3). Volatilization of decylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.0761 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Decylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.28X10-3 mm Hg(5).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 2.4X10+5(SRC), determined from a regression derived equation(2), indicates that decylbenzene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(2) based upon an estimated Henry's Law constant of 0.0761 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Volatilization half-lives for a model river and model lake are 4.33 hrs and 140 hrs, respectively(SRC), using an estimation method(3). However, the volatilization half-life does not take into account the effects of adsorption. An estimated Koc of 2.4X10+5 suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water(SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 57 months in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 65 hrs in a model pond 2 m deep(4). River die-away tests have shown linear alkyl benzenes are readily biodegradable with half-lives of 7.3 and 11.4 days for C-10 isomers(5). A BCF of 35(6) for dodecylbenzene measured in fish suggests that bioconcentration of decylbenzene in aquatic organisms is moderate(7).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), decylbenzene, which has a vapor pressure of 1.28X10-3 mm Hg at 25 °C(2) is expected to exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase decylbenzene 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 22.4 hrs(SRC), calculated from its estimated rate constant of 1.72X10-11 cu cm/molecule-sec at 25 °C(SRC)determined using a structure estimation method(3).
食品調査値Decylbenzene was detected in beef presumably derived from the thermal oxidative decomposition of lipids, concentration not specified(1).
Soil Adsorption/MobilityThe Koc of decylbenzene is estimated as 2.4X10+5(SRC), using a log Kow of 7.37(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that decylbenzene is expected to be immobile in soil.
Natural Pollution SourcesDecylbenzene has been detected in beef products, presumably derived from the thermal oxidative decomposition of lipids(1).
Artificial Pollution SourcesDecylbenzene's production and use as in linear alkyl sulfonate(LAS) detergents(1) may result in its release to the environment through various waste streams. The vast majority of manufactured linear alkylbenzenes (LAB) are converted to LAS detergents which may contain 1 to 3% residual unsulfonated LAB(1).
Environmental BiodegradationRiver die-away tests have shown linear alkyl benzenes are readily biodegradable with half-lives of 7.3 and 11.4 days for C-10 isomers(1). Linear alkyl benzene compounds are readily biodegradable in natural waters(1).
Environmental BioconcentrationAn estimated BCF of 636 was calculated for decylbenzene(SRC), using a log Kow of 7.37(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. An experimental BCF of 35(4) for dodecylbenzene measured in bluegill sunfish suggests that bioconcentration of decylbenzene in aquatic organisms is moderate(3). This lower value is suspected to be due mainly to metabolism(4).
Volatilization from Water/SoilThe Henry's Law constant for decylbenzene is estimated as 0.076 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 1.28X10-3 mm Hg(1), and water solubility, 2.40X10-3 mg/l(2). This Henry's Law constant indicates that decylbenzene 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 approximately 4.33 hrs(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 approximately 140 hrs(SRC). However, the volatilization half-life does not take into account the effects of adsorption. An estimated Koc of 2.43X10+5(SRC), from a log Kow of 7.37(4) and a regression-derived equation(3), suggests that volatilization could be attenuated by adsorption to suspended solids and sediments in water(SRC). This is apparent from the results of two EXAMS model runs, one in which the effect of adsorption was considered, yielding an estimated half-life of 57 months in a model pond 2 m deep, and one in which the effect of adsorption was ignored, yielding an estimated half-life of 65 hrs in a model pond 2 m deep(5). Decylbenzene's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces may occur, but adsorption may attenuate this process(SRC). Decylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.28X10-3 mm Hg(1).
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of decylbenzene with photochemically-produced hydroxyl radicals has been estimated as 1.72X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 22.4 hrs at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Decylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2) nor photolyze due to the lack of absorption in the environmental UV spectrum.
Probable Routes of Human ExposureOccupational exposure to decylbenzene may occur through inhalation of this compound at workplaces where decylbenzene is produced or used(SRC). The general population may be exposed to decylbenzene via ingestion of food(1) and drinking water(2-5) and by use of LAS detergent products containing decylbenzene(6).
Environmental Water ConcentrationsGROUNDWATER: Decylbenzene was detected in groundwater samples, potentially polluted from industrial processes, collected in the United Kingdom on February 12, 1979, concentrations not specified(1).DRINKING WATER: Decylbenzene was detected in finished water from an advanced water treatment plant in Lake Tahoe from Jun 1977-Nov 1980, concentration not specified(1).SURFACE WATER: Decylbenzene was detected in water samples taken from the Besos River near Barcelona, Spain in Aug 1985, concentrations not specified(1). Decylbenzene was detected in water samples from Stockacher Aach River in Germany, concentrations not specified(2).
Environmental Fate/Exposure SummaryDecylbenzene's production for use in linear aklylsulfonates may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 1.28X10-3 mm Hg at 25 °C indicates decylbenzene will exist solely in the vapor-phase in the ambient atmosphere. Vapor-phase decylbenzene will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 22.4 hrs. If released to soil, decylbenzene is expected to be immobile based upon an estimated Koc of 2.4X10+5. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 0.0761 atm-cu m/mole. However, adsorption to soil is expected to attenuate volatilization. Decylbenzene is not expected to volatilize from dry soil surfaces based upon its vapor pressure. If released into water, decylbenzene is expected to adsorb to suspended solids and sediment based upon the estimated Koc. River die-away tests have shown linear alkyl benzenes are readily biodegradable with half-lives of 7.3 and 11.4 days for C-10 isomers. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 4.33 and 140 hrs, respectively. However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. A BCF of 35 for dodecylbenzene measured in fish suggests that bioconcentration of decylbenzene in aquatic organisms is moderate. Hydrolysis is not expected to occur due to the lack of hydrolyzable functional groups. Occupational exposure to decylbenzene may occur through inhalation and dermal contact with this compound at workplaces where decylbenzene is produced or used. The general population may be exposed to decylbenzene via ingestion of drinking water and use of LAS detergent products containing decylbenzene. (SRC)