Pentadecylbenzene
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Pentadecylbenzene
structure -
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CAS No:
2131-18-2
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Formula:
C21H36
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Chemical Name:
Pentadecylbenzene
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Synonyms:
Benzene,pentadecyl-;Pentadecane,1-phenyl-;Pentadecylbenzene;n-Pentadecylbenzene;1-Phenylpentadecane;1-Phenyl-n-pentadecane;Pentadecylbenzol;NSC 88949
- Categories:
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CAS No:
Pentadecylbenzene Basic Attributes
288.51
288.51
218-352-0
FLW4P997AO
88949
DTXSID5051860
2902909090
Characteristics
0
10.12
Solid
0.8548 g/cm3 @ Temp: 20 °C
22 °C
373 °C
12 °C
1.482
7.2X10-6 mm Hg @ 25 deg C
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
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.
[ITC/USEPA; Infomation Review #235 (Draft) Mono(C10-16) Alkylbenzenes (1981)]
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
n-Pentadecylbenzene's production and use as a component for detergents and a starting material for linear alkylsulfonates(1,2) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated log Koc value of 6.5(SRC), determined from an estimated log Kow of 9.42(2,SRC) and a regression-derived equation(3), indicates that n-pentadecylbenzene is expected to be immobile in soil(SRC). Volatilization of n-pentadecylbenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.79 atm-cu m/mole(SRC), using a fragment constant estimation method(4), but adsorption may severely attenuate this process. n-Pentadecylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.2X10-6 mm Hg(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated log Koc value of 6.5(SRC), determined from an estimated log Kow of 9.42(2,SRC) and a regression-derived equation(3), indicates that n-pentadecylbenzene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.79 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4), but adsorption may severely attenuate this process(SRC). Volatilization half-lives for a model river and model lake are 5 hours and 7 days, respectively(SRC), using an estimation method(3) if adsorption is neglected. The estimated volatilization half-life from a model pond is 70 years if adsorption is considered(5). River die-away tests have shown that alkylbenzenes are readily biodegradable, with half-lives of 1.7 to 11.4 days for C-10 to C-13 isomers in river water(6). According to a classification scheme(7), a BCF of 35 for dodecylbenzene measured in fish(8) suggests that bioconcentration of n-pentadecylbenzene in aquatic organisms is moderate.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-pentadecylbenzene, which has a vapor pressure of 7.2X10-6 mm Hg at 25 °C(2), is expected to exist solely in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase n-pentadecylbenzene 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 16 hours(SRC) from its estimated rate constant of 2.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(3) Particulate-phase n-pentadecylbenzene may be removed from the air by wet and dry deposition(SRC).
The rate constant for the vapor-phase reaction of n-pentadecylbenzene with photochemically-produced hydroxyl radicals has been estimated as 2.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 16 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). n-Pentadecylbenzene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2).
The BCF of n-pentyldecylbenzene was estimated as 3(SRC) from an estimated log Kow of 9.42(1,SRC) and a regression derived equation(2). The BCF value of bluegill sunfish exposed to dodecylbenzene in a flowing aquarium was 35(3). By analogy, the BCF value for n-pentadecylbenzene is expected to be similar(SRC). According to a classification scheme(4), these BCF vales suggest bioconcentration in aquatic organisms is moderate.
The log Koc of n-pentadecylbenzene is estimated as 6.5(SRC), using an estimated log Kow of 9.42(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this estimated log Koc value suggests that n-pentadecylbenzene is expected to be immobile in soil.
The Henry's Law constant for n-pentadecylbenzene is estimated as 0.79 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that n-pentadecylbenzene is expected to volatilize rapidly from water surfaces(2), however adsorption may severely attenuate this process(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)(2) is estimated as 5 hours if adsorption is neglected(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 7 days if adsorption is neglected(SRC). The estimated volatilization half-life from a model pond is 70 years if adsorption is considered(3). n-Pentadecylbenzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur, however adsorption may attenuate this process(SRC). n-Pentadecylbenzene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 7.2X10-6 mm Hg at 25 °C(4).
Traces of pentadecylbenzene were observed from one source along the Illinois River. The source was a manufacturing site for surfactants, detergents, and plastic moldings.
Occupational exposure to n-pentadecylbenzene may occur through inhalation and dermal contact with this compound at workplaces where n-pentadecylbenzene is produced or used. The general population may be exposed to n-pentadecylbenzene via dermal contact with this compound and consumer products containing n-pentadecylbenzene. (SRC)
Pentadecylbenzene Use and Manufacturing
Component of detergent alkylates.
(1977) 1-10 million lbs
Benzene, pentadecyl-: INACTIVE|Benzene, mono-C10-16-alkyl derivs.: ACTIVE
Computed Properties
Molecular Weight:288.5
XLogP3:10.4
Rotatable Bond Count:14
Exact Mass:288.281701148
Monoisotopic Mass:288.281701148
Heavy Atom Count:21
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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