Octyl decyl phthalate
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Octyl decyl phthalate
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CAS No:
119-07-3
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Formula:
C26H42O4
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Chemical Name:
Octyl decyl phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-decyl 2-octyl ester;Phthalic acid,decyl octyl ester;1,2-Benzenedicarboxylic acid,decyl octyl ester;n-Decyl n-octyl phthalate;Decyl octyl phthalate;Dinopol 235;Octyl decyl phthalate;n-Octyl n-decyl phthalate;Polycizer 532;Polycizer 562;Staflex 500;1323-73-5
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CAS No:
Description
OCTYL DECYL PHTHALATE is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
Octyl decyl phthalate Basic Attributes
418.60900
418.61
204-295-9
9E1KBO18K0
DTXSID1047497
Clear liquid
2917349000
Characteristics
52.60000
7.50140
Octyl decyl phthalate is a colorless liquid with a mild, characteristic odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
0.972-0.976 g/cm3 @ Temp: 20 °C
<25 °C
233-267 °C @ Press: 4 Torr
233.1ºC
1.489
In water, 1.73X10-5 mg/L at 25 deg C (est)
3.88X10-7 mm Hg at 25 deg C (est)
Mild characteristic odor
Henry's Law constant = 2.08X10-5 atm-cu m/mol at 25 °C (est)
Phthalate esters would be expected to have UV maxima in the 230 nm and 270 nm regions. /Phthalate esters/|... Resistance to migration from polymers, low temperature flexibility ... compatibility with polar polymers and additives over a wide range of compositions. /Phthalate esters/|Hydroxyl radical reaction rate constant = 2.34X10-11 cu cm/molec-sec at 25 °C (est)
Insoluble in water.
Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
OCTYL DECYL PHTHALATE reacts with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.
Safety Information
Stable. Combustible. Incompatible with strong oxidizing agents.
SRP: 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 quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
... Can react vigorously with oxidizing materials.
Octyldecyl phthalate is an indirect food additive for use only as a component of adhesives.
Nat'l Research Council Canada; Phthalate Esters in the Aquatic Environment (1980) NRCC No. 17583|USEPA; Ambient Water Quality Criteria Doc: Phthalate Esters (1980) EPA 440/5-80-067|USEPA/ECAO; Atlas Document for: Phthalate Esters (1980)
Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. (NTP, 1992)
Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Combustible.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
Toxicity
LD50 Rat oral 45 g/kg
Octyl decyl phthalate's production and use as a plasticizer for vinyl resins(1) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 6.6X10+5(SRC), determined from a structure estimation method(2), indicates that octyl decyl phthalate is expected to be immobile in soil(SRC). Volatilization of octyl decyl phthalate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.1X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Octyl decyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-7 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2008); however, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 6.6X10+5(SRC), determined from a structure estimation method(2), indicates that octyl decyl phthalate 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 2.1X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5.6 and 47 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 260 years if adsorption is considered (5). According to a classification scheme(6), an estimated BCF of 3(SRC), from an estimated log Kow of 9.52(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis is not expected to be an important process(SRC) based on estimated hydrolysis half-lives of 7.7 years and 280 days at pHs 7 and 8, respectively(9). Biodegradation data were not available(SRC, 2008); however, biodegradation studies on a series of phthalate esters have demonstrated that phthalate esters in general are readily biodegraded(10).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), octyl decyl phthalate, which has an estimated vapor pressure of 3.9X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase octyl decyl phthalate 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), calculated from its rate constant of 2.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase octyl decyl phthalate may be removed from the air by wet or dry deposition(SRC). Octyl decyl phthalate does contain chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
The rate constant for the vapor-phase reaction of octyl decyl phthalate with photochemically-produced hydroxyl radicals has been estimated as 2.3X10-11 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). A base-catalyzed second-order hydrolysis rate constant of 2.9X10-2 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 7.7 years and 280 days at pH values of 7 and 8, respectively(2). Octyl decyl phthalate does contain chromophores that absorb at wavelengths >290 nm(3) and therefore may be susceptible to direct photolysis by sunlight(SRC).
An estimated BCF of 3 was calculated in fish for octyl decyl phthalate(SRC), using an estimated log Kow of 9.52(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc of octyl decyl phthalate can be estimated to be 6.6X10+5(SRC). According to a classification scheme(2), this estimated Koc value suggests that octyl decyl phthalate is expected to be immobile in soil.
The Henry's Law constant for octyl decyl phthalate is estimated as 2.1X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that octyl decyl phthalate is expected to volatilize from water surfaces(2). 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 5.6 days(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 47 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The volatilization half-life from a model pond is about 260 years when adsorption is considered(3). Octyl decyl phthalate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Octyl decyl phthalate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 3.9X10-7 mm Hg(SRC), determined from a fragment constant method(4).
RAIN/SNOW: Octyl decyl phthalate was identified in 1 of 10 snow sample sites in Russia and Siberia; 1.35 ug/kg at Moscow State University (Moscow, Russia)(1).
NIOSH (NOES Survey 1981-1983) has statistically estimated that 987 workers (797 of these were female) were potentially exposed to octyl decyl phthalate in the US(1). Occupational exposure to octyl decyl phthalate may occur through inhalation of dust and dermal contact with this compound at workplaces where octyl decyl phthalate is produced or used. Use data indicate that the general population may be exposed to octyl decyl phthalate via dermal contact with consumer products containing octyl decyl phthalate(SRC).
Drug Information
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
EYES: 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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Octyl decyl phthalate Use and Manufacturing
Plasticizer for vinyl resins
(1971) 6.1X10+10 G|(1975) GREATER THAN 1.36X10+6 G|(1983) /PROBABLY/ LESS THAN 2.27X10+6 G|This chemical is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals.|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3052]
100% AS A PLASTICIZER (1976)
COMPRISES 31.1% OF A TYPICAL MELT-MIXED POLYVINYLCHLORIDE POWDER-COATING FORMULATION /FROM TABLE/
1,2-Benzenedicarboxylic acid, 1-decyl 2-octyl ester: ACTIVE|The first step, alcoholysis of phthalic anhydride (PA) to give the monoester, is rapid and goes to completion. The reaction generally starts at elevated temperatures and proceeds exothermically. The second step is the conversion of the monoester to a diester with the formation of water. This is a reversible reaction and proceeds more slowly than the first, thus determining the overall rate of reaction. To shift the equilibrium towards the diester, the water of reaction is removed by distillation. The rate of reaction can be influenced by the choice of catalyst and the reaction temperature. For fast conversion rates, high reaction temperatures are generally used. However, these are influenced by the boiling point of the alcohol and/or the type of catalyst. ... Currently, nearly all major phthalate producers use amphoteric catalysts for the esterification of high boiling alcohols. ... The reaction temperatures for the amphoteric catalysts are about 200 °C. At this temperature side reactions are minimized, and the alcohol can be recycled without purification. By using this type of catalyst, over 99.5 % conversion to diester can be achieved. /Phthalates/
Computed Properties
Molecular Weight:418.6
XLogP3:10.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:20
Exact Mass:418.30830982
Monoisotopic Mass:418.30830982
Topological Polar Surface Area:52.6
Heavy Atom Count:30
Complexity:435
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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