Distearyl thiodipropionate
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Distearyl thiodipropionate
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CAS No:
693-36-7
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Formula:
C42H82O4S
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Chemical Name:
Distearyl thiodipropionate
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Synonyms:
Propanoic acid,3,3′-thiobis-,1,1′-dioctadecyl ester;Propionic acid,3,3′-thiodi-,dioctadecyl ester;Propanoic acid,3,3′-thiobis-,dioctadecyl ester;Distearyl thiodipropionate;Distearyl β,β′-thiodipropionate;Distearyl 3,3′-thiodipropionate;PS 802;Plastanox STDP Antioxidant;Advastab PS 802;Dioctadecyl thiodipropionate;Stearyl 3,3′-thiodipropionate;Plastanox STDP;Dioctadecyl 3,3′-thiodipropionate;Advastab 802;Distearyl β-thiodipropionate;Cyanox STDP;DSTDP;Hostanox VP-SE 2;Yoshinox DSTDP;Irganox PS 802;DSTP;Hostanox SE 2;Lusmit SS;Naugard DSTDP;Arbestab DSTDP;Sumilizer TPS;Seenox DS;Antiox S;Varox DSTDP;Thio 1;Evanstab 18;Hostanox SE 4;Irganox PS 802FL;NSC 65493;Distearyl-3,3-thiodipropionate;Negonox DSTP;Carstab DSTDP;Yoshinox DSTP;Lowinox DSTDP;PS 802FL;Irganox 802FD;Antioxidant 802;Cyanox OTDP;DSTP Yoshitomi;Irganox PS 802FD;Songnox DSTDP;Lasumit SG;Antioxidant DSTP;AO 180T;Arenox DS;Antioxidant DSTDP;Rianox DSTP;Mark DSTDP;Jyanox DSTDP;115863-90-6;1323-85-9;60649-48-1
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CAS No:
Description
DryPowder; DryPowder, OtherSolid; DryPowder, PelletsLargeCrystals; OtherSolid; PelletsLargeCrystals
Distearyl thiodipropionate Basic Attributes
683.16
683.16
211-750-5
B40A12D0GL
65493
DTXSID3027299
White flakes|Crystals
29309090
Characteristics
77.9
17.7 (est)
DryPowder; DryPowder, OtherSolid; DryPowder, PelletsLargeCrystals; OtherSolid; PelletsLargeCrystals
1.027 g/cu cm at 25 deg C
60 °C
704.8±45.0 °C at 760 mmHg
237℃
1.473
Very soluble in benzene and olefin polymeres
Keep tightly closed. Store in a cool dry place.
4.95X10-8 mm Hg at 20 deg C
Henry's Law constant = 1.2X10-4 atm-cu m/mole at 25 °C (est)
Resistant to heat and hydrolysis|Hydroxyl radical reaction rate constant = 6.9X10-11 cu cm/molec-sec at 25 °C (est)
Safety Information
NONH for all modes of transport
36/37/38
26-36/37/39
UF8010000
Stable at normal temperatures and pressures.
P264, P270, P273, P280, P301+P312, P302+P352, P312, P322, P330, P363, P501
H302
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant life; and conformance with environmental and public health regulations.
|Warning|H302 (53.12%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 533 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
LD50 Rat oral >5000 mg/kg bw|LD50 Mouse ip >2000 mg/kg|LD50 Mouse oral >2000 mg/kg|LD50 Rat oral >2500 mg/kg
Distearyl thiodipropionate's production and use as an antioxidant, plasticizer and softening agent(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 1X10+10(SRC), determined from a structure estimation method(2), indicates that distearyl thiodipropionate is expected to be immobile in soil(SRC). Volatilization of distearyl thiodipropionate from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(2), however, distearyl thiopropionate's strong adsorption to soil that will attenuate volatilization(SRC). Distearyl thiodipropionate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.95X10-8 mm Hg at 20 °C(3). An 82% of theoretical BOD using activated sludge in the Japanese MITI test(4) suggests that biodegradation may be an important environmental fate process in soil(SRC). However, results of several biodegradation tests (OECD methods 301B, 301C, 301D) reported biodegradation of 0 to 40% which classify distearyl thiopropionate as not readily biodegradable(3,5); OECD method 302C observed degradation of 60% which indicates inherently biodegradable(3,5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1X10+10(SRC), determined from a structure estimation method(2), indicates that distearyl thiodipropionate 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 1.2X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.1 and 16 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 greater than 100 years if adsorption is considered(4). According to a classification scheme(5), an estimated BCF of 3(SRC), from an estimated log Kow of 17.7(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A base-catalyzed second-order hydrolysis rate constant of 0.077 L/mole-sec(SRC) was estimated using a structure estimation method(6); this corresponds to half-lives of 2.8 years and 104 days at pH values of 7 and 8, respectively(SRC). An 82% of theoretical BOD using activated sludge in the Japanese MITI test(7) suggests that biodegradation may be an important environmental fate process in water(SRC). However, results of several biodegradation tests (OECD methods 301B, 301C, 301D) reported biodegradation of 0 to 40% which classify distearyl thiopropionate as not readily biodegradable(8,9); OECD method 302C observed degradation of 60% which indicates inherently biodegradable(8,9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), distearyl thiodipropionate, which has a vapor pressure of 4.95X10-8 mm Hg at 20 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase distearyl thiodipropionate 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 5.6 hours(SRC), calculated from its rate constant of 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase distearyl thiodipropionate may be removed from the air by wet or dry deposition(SRC).
The rate constant for the vapor-phase reaction of distearyl thiodipropionate with photochemically-produced hydroxyl radicals has been estimated as 6.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5.6 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). A base-catalyzed second-order hydrolysis rate constant of 0.077 L/mole-sec(SRC) was estimated using a structure estimation method(2); this corresponds to half-lives of 2.8 years and 104 days at pH values of 7 and 8, respectively(SRC).
An estimated BCF of 3 was calculated in fish for distearyl thiodipropionate(SRC), using an estimated log Kow of 17.7(1) and a regression-derived equation(1). According to a classification scheme(2), 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 distearyl thiodipropionate can be estimated to be 1X10+10(SRC). According to a classification scheme(2), this estimated Koc value suggests that distearyl thiodipropionate is expected to be immobile in soil.
The Henry's Law constant for distearyl thiodipropionate is estimated as 1.2X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dilauryl thiodipropionate 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 1.1 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 16 days(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 greater than 100 years if adsorption is considered(3). Distearyl thiodipropionate is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4.95X10-8 mm Hg at 20 °C(4).
According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of distearyl thiodipropionate is 1000 or greater; the data may be greatly underestimated(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 20,401 workers (11,757 of these were female) were potentially exposed to distearyl thiodipropionate in the US(1).
Drug Information
...LAURYL THIODIPROPIONATE IS ABSORBED FROM INTESTINAL TRACT OF DOG, RABBITS, AND RAT, & A LARGE PART IS ELIMINATED FROM THE BODY BY KIDNEYS, AS THIODIPROPIONIC ACID. WITH THE SAME ANIMALS /DISTEARYL THIODIPROPIONATE/...APPEAR/S/ TO BE ABSORBED WITH GREAT DIFFICULTY...ALTHOUGH SOME APPEARS IN URINE GREATER PART...IN FECES.
Dilauryl thiodipropionate (DLTDP), dicetyl thiodipropionate, dimyristyl thiodipropionate, distearyl thiodipropionate, and ditridecyl thiodipropionate are dialkyl esters of their respective alcohols and thiodipropionic acid (TDPA) used in cosmetics. Ingested DLTDP was excreted in the urine as TDPA. Single-dose acute oral and parenteral studies and subchronic and chronic repeated dose oral studies did not suggest significant toxicity. Neither DLTDP nor TDPA was irritating to animal skin or eyes and they were not sensitizers. TDPA was neither a teratogen nor a reproductive toxicant. Genotoxicity studies were negative for TDPA and DLTDP. Clinical testing demonstrated some evidence of irritation but no sensitization or photosensitization. The Cosmetic Ingredient Review Expert Panel considered that the data from DLTDP reasonably may be extrapolated to the other dialkyl esters and concluded that these ingredients were safe for use in cosmetic products that are formulated to be nonirritating.
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
Distearyl thiodipropionate Use and Manufacturing
Derived from the reaction of stearyl alcohol and thiodipropionic acid.
It can be widely used in polyethylene, polypropylene and ABS, PBT and other synthetic materials, but also in rubber processing and lubricating grease
Antioxidant used in plastics.
Building/construction materials not covered elsewhere
1,000,000 - 10,000,000 lb|(1979) 1.14-1.36X10+9 GRAMS (EST)|(1981) 1.06X10+9 GRAMS|Propanoic acid, 3,3'-thiobis-, dioctadecyl ester is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5537]|Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Propanoic acid, 3,3'-thiobis-, 1,1'-dioctadecyl ester. Aggregated National Production Volume: 1 to < 10 million pounds.
Plastic material and resin manufacturing|Propanoic acid, 3,3'-thiobis-, 1,1'-dioctadecyl ester: ACTIVE
Food Additives -> ANTIOXIDANT; -> JECFA Functional Classes|Cosmetics -> Antioxidant
Food Additives -> ANTIOXIDANT;
Computed Properties
Molecular Weight:683.2
XLogP3:18.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:42
Exact Mass:682.59338227
Monoisotopic Mass:682.59338227
Topological Polar Surface Area:77.9
Heavy Atom Count:47
Complexity:574
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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