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Home > Encyclopedia > Phenol, 2-nonyl-, 1,1′,1′′-phosphite

Phenol, 2-nonyl-, 1,1′,1′′-phosphite

Phenol, 2-nonyl-, 1,1′,1′′-phosphite structure

Phenol, 2-nonyl-, 1,1′,1′′-phosphite 

structure
  • CAS No:

    16784-72-8

  • Formula:

    C45H69O3P

  • Chemical Name:

    Phenol, 2-nonyl-, 1,1′,1′′-phosphite

  • Synonyms:

    Phenol,2-nonyl-,1,1′,1′′-phosphite;Phenol,o-nonyl-,phosphite (3:1);Phenol,2-nonyl-,phosphite (3:1);Phosphorous acid,tris(o-nonylphenyl) ester;Tri(o-nonylphenyl) phosphite

Description

COLOURLESS VISCOUS LIQUID.

Phenol, 2-nonyl-, 1,1′,1′′-phosphite Basic Attributes

689.0 g/mol

689.00

247-759-6

7KV2DH7E7A

0964

3082

DTXSID20872463

Clear liquid

Characteristics

27.7 Ų

log Kow = 14 (estimated via OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)|8

0.98 g/cu cm at 20 °C|Relative density (water = 1): 0.98

6 °C (pour point), OECD Guideline 102 (Melting point / Melting Range)

>300 °C, OECD Guideline 103 (Boiling point/boiling range), has an onset of degradation at 322 °C under nitrogen

207 °C (405 °F) - closed cup|207 °C c.c.

In water, <0.6 mg/L at 24 °C, pH 7 (OECD Guideline 105 (Water Solubility))|In water, <0.05 mg/L (indirect solubility method)|In water, 6.9X10-7 mg/L at 25 °C (fragment estimation)|Solubility in water, g/100ml: 4.1

Conditions for safe storage, including any incompatibilities: Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Storage class (TRGS 510): Combustible liquids

0.058 Pa at 25 °C (0.000435 mm Hg), extrapolated from measured data at higher temperatures|Vapor pressure, Pa at 25 °C: 0.058

Henry's Law constant: 6.5X10-4 atm cu m/mol at 25 °C (est)

Hydroxyl radical reaction rate constant: 5.1X10-11 cu cm/molecule-sec at 25 °C (est)

440 °C

Safety Information

Chemical stability: Stable under recommended storage conditions.

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.|Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an after burner and scrubber. Contaminated packaging: Dispose of as unused product.

Incompatible materials: Oxidizing agents, strong reducing agents, organic materials, acids, strong acids and strong bases, water

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|H315 (17.82%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P273, P280, P302+P352, P321, P332+P313, P333+P313, P362, P363, P391, and P501|Aggregated GHS information provided by 888 companies from 31 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P261, P264, P272, P273, P280, P281, P302+P352, P305+P351+P338, P308+P313, P310, P321, P332+P313, P333+P313, P362, P363, P391, P405, and P501

Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).|Body Protection: Complete suit protecting against chemicals, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Skin protection: Handle with gloves.|Eye/face protection: Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.|Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Methods and materials for containment and cleaning up: Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.|Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.|Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.|Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas.|SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Skin: sensitizing in the maximization test, not sensitizing in Buehler test.|Eye: Slightly irritating|Skin: Moderately irritating

Personal protection: chemical protection suit, protective gloves and face shield. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.

Dry. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.

Repeated or prolonged contact may cause skin sensitization.

NO open flames.

AVOID ALL CONTACT!

Use ventilation.

Protective gloves. Protective clothing.

Wear safety spectacles.

Toxicity

IDENTIFICATION AND USE: Tris(nonylphenyl)phosphite is a clear liquid with negligible to low water solubility and moderate vapor pressure. The industrial uses of Tris(nonylphenyl)phosphite include: plastics product manufacturing, plastic packaging materials production, unlaminated film and sheet manufacturing (as a stabilizer); resin and synthetic rubber manufacturing, and tire manufacturing. HUMAN EXPOSURE AND TOXICITY: A single Japanese study detected a derivative of tris (nonylphenyl) phosphite in most PVC wrapping films and gloves. PVC wrapping film was extensively used in markets, thus many kinds of foods were contaminated. Among them, fillet or minced fish and meat contained it at high levels. In 2000, manufacturers voluntarily changed their composition and all wrapping films in Japan no longer contain nonylphenol. In Japan, the exposure to bisphenol A, nonylphenol and DEHP have been significantly reduced and people also have more concerns with the safety of food contact articles. No other human data was available for this compound. ANIMAL STUDIES: USEPA sponsored hazard screenings yielded the following LD50's: rat dermal of > 2000 mg/kg, rabbit dermal of > 2000 mg/kg, rat oral of 19500 mg/kg, rat intraperitoneal of > 1000 mg/kg. No other animal data was available.

LD50 Rat Dermal >2000 mg/kg|LD50 Rabbit Dermal >2000 mg/kg|LD50 Rat Oral 19500 mg/kg|LD50 Rat Intraperitonal > 1000 mg/kg

Tris(nonylphenyl)phosphite's production and use as a stabilizer and antioxidant in the processing of various plastic materials (PVC, LLDPE, HDPE) and rubber(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 tris(nonylphenyl)phosphite is expected to be immobile in soil(SRC). Volatilization of tris(nonylphenyl)phosphite from moist soil surfaces is expected to occur(SRC) given an estimated Henry's Law constant of 6.5X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(2). However, adsorption to soil is expected to attenuate volatilization(SRC). Tris(nonylphenyl)phosphite is not expected to volatilize from dry soil surfaces(SRC) based upon its extrapolated vapor pressure of 4.35X10-4 mm Hg at 25 °C(3). A 1% and <4% of theoretical BOD in two OECD screening tests (OECD 301D, 301B) indicate that tris(nonylphenyl)phosphite is not readily biodegradable(3). Results of the Japanese MITI test found that tris(nonylphenyl)phosphite hydrolyzed abiotically in water(4).|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 tris(nonylphenyl)phosphite 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 6.5X10-4 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 11 hours and 11.5 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 5 years if adsorption is considered(4). According to a classification scheme(5), an estimated BCF of 5(SRC), from an HPLC estimated log Kow of 14(6) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 1% and <4% of theoretical BOD in two OECD screening tests (OECD 301D, 301B) indicate that tris(nonylphenyl)phosphite is not readily biodegradable(6). Results of the Japanese MITI test found that tris(nonylphenyl)phosphite hydrolyzed abiotically in water reaching 83% of its theoretical degradation in 4 weeks(4). One standard hydrolysis test observed only 0.1% hydrolysis over 10 days, but the very low solubility of tris(nonylphenyl)phosphite caused a dispersed and cloudy solution containing a fine dispersion of tris(nonylphenyl)phosphite as an insoluble emulsion(6). This suggests that hydrolysis will not occur unless the compound dissolves in water which may be problematic due to very low solubility(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tris(nonylphenyl)phosphite, which has an extapolated vapor pressure of 4.35X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase tris(nonylphenyl)phosphite 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 7.6 hours(SRC), calculated from its rate constant of 6.5X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

The rate constant for the vapor-phase reaction of tris(nonylphenyl)phosphite with photochemically-produced hydroxyl radicals has been estimated as 5.1X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7.6 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Using a method similar to OECD Guideline 111 (Hydrolysis as a Function of pH), only 0.1% of initial tris(nonylphenyl)phosphite (10 ppm) was hydrolyzed over a 241-hour period as measured by nonylphenol formation(2); however, due to the very low solubility of tris(nonylphenyl)phosphite, the compound (using acetone) was dispersed in the water creating a cloudy solution containing a fine dispersion of tris(nonylphenyl)phosphite as an insoluble emulsion(2); this may have hampered hydrolysis(SRC). A 2004 study found no hydrolysis of tris(nonylphenyl)phosphite over a 24-hour period(2); experimental procedure not reported(SRC). Triethyl phosphite hydrolyzes almost instantly in water at pH 4, within 20 minutes at pH 7 and has a half-life of about 5.1 hours at pH 9(3). This may suggest that tris(nonylphenyl)phosphite will hydrolyze in water if the compound dissolves into solution(SRC). Hydrolysis of tris(nonylphenyl)phosphite has been reported to occur during biodegradation and stability tests yielding nonylphenol as a hydrolysis product(4).

An estimated BCF of 5 was calculated in fish for tris(nonylphenyl)phosphite(SRC), using an HPLC estimated log Kow of 14(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). A low bioconcentration was reported for tris(nonylphenyl)phosphite based on test results using carp (Cyprinus carpio)(4); however, actual BCF values were not reported(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc of tris(nonylphenyl)phosphite can be estimated to be 1X10+10(SRC). According to a classification scheme(2), this estimated Koc value suggests that tris(nonylphenyl)phosphite is expected to be immobile in soil.

The Henry's Law constant for tris(nonylphenyl)phosphite is estimated as 6.5X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that tris(nonylphenyl)phosphite 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 11 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)(2) is estimated as 11.5 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 5 years if adsorption is considered(3). Tris(nonylphenyl)phosphite's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption(SRC). Tris(nonylphenyl)phosphite is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 4.35X10-4 mm Hg(4).

According to the 2012 TSCA Inventory Update Reporting data, 5 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of tris(nonylphenyl)phosphite (26523-78-4) may be as low as <10 workers up to the range of 25-49 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 44,891 workers (20,417 of these were female) were potentially exposed to tris(nonylphenyl)phosphite in the US(1). Occupational exposure to tris(nonylphenyl)phosphite may occur through inhalation and dermal contact with this compound at workplaces where tris(nonylphenyl)phosphite is produced or used. Occupational exposure may occur through the respiratory and the dermal routes with highest exposures occurring during the manufacture of tris(nonylphenyl)phosphite containing materials and a worst case inhalation exposure level of 8.58 mg/cu m (related to mixing or transforming activities at high temperatures)(2). The highest dermal exposure may occur during transfer of the substance. Consumer exposure may occur through use of plastic products containing tris(nonylphenyl)phosphite, mainly through food-contact materials(2).

Drug Information

Food contact plastics and rubbers possibly contain many kinds of chemicals such as monomers, oligomers, additives, degradation products of polymers and additives, and impurities. Among them, bisphenol A, nonylphenol, benzylbutyl phthalate, styrene oligomers and hydroxylated benzophenones have been reported to possess estrogenic activities. In this study, other chemicals related to food contact plastics and rubbers, and their metabolites induced by the S9-mixture were tested for their estrogenic activities using the yeast two-hybrid assay. Among the 150 chemicals, 10 chemicals such as bis(4-hydroxyphenyl) methane, 4-cyclohexylphenol, 4-phenylphenol, 4,4'-isopropylidenediphenol alkylphosphite, two type of styrenated phenol (including mono type), tris(nonylphenyl) phosphite, 2,2'-dihydroxy-4-methoxybenzophenone, 2-hydroxy-4-methoxybenzophenone and 2,4-diphenyl-4-methyl-1-pentene, their metabolites and the metabolites of 6 other chemicals, such as 2-(phenylmethyl) phenol, styrenated phenol (di and tri type), 1-(N-phenylamino)naphthalene, 4-tert-butylphenylsalicylate, nonylphenol ethoxylates and 2-methyl-6-tert-butylphenol, displayed estrogenic activities. All of them contained a phenol group in their chemical structures or formed one easily by hydrolysis or metabolism. However, most of the chemicals related to food contact plastics and rubbers, and their metabolites did not show any estrogenicity.

Chlorine|Di(nonylphenyl)phenylphosphite (CAS 25417-08-7); Typical concentration (% w/w): 0.05% w/w.|Phenol (CAS 108-95-2); Typical concentration (% w/w): < 0.1% w/w.|Nonylphenol (CAS 25154-52-3); Typical concentration (% w/w): < 5% w/w.

Fresh air, rest. Seek medical attention if you feel unwell.


Rinse and then wash skin with water and soap.


Rinse with plenty of water (remove contact lenses if easily possible).

/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 TKO /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) 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/

/OTHER TOXICITY INFORMATION/ A number of endocrine disruptors have been reported in food contact articles and baby toys mainly during the second half of the 1990s. Bisphenol A, nonylphenol, phthalates, styrene dimers and trimers, and their transision are described in this article. Bisphenol A was found in polycarbonate tableware, nursing bottles and the epoxy resin coating of cans, therefore, it was also found in the canned foods and drinks. Polycarbonate is now only slightly used for tableware or nursing bottles in Japan because consumers refused them. The can manufacturers changed their coating material to the low bisphenol A resin or PET films and voluntarily regulate its migration limit to under 5 or 10 ng/ml. Nonylphenol was found in most PVC wrapping films and gloves. It was generated from an oxidant, tris (nonylphenyl) phosphite. PVC wrapping film was extensively used in markets, thus many kinds of foods were contaminated. Among them, fillet or minced fish and meat contained it at high levels. In 2000, manufacturers voluntarily changed their composition and all wrapping films in Japan no longer contain nonylphenol. Di(2-ethylhexyl) phthalate (DEHP) was found in PVC gloves, which contaminated packed lunches and hospital meals at high levels. The government prohibited these gloves for all food contact use in 2000, moreover, other PVC food contact articles containing DEHP were prohibited for contact use with fatty foods in 2002. DEHP was also found in PVC toys which was prohibited in 2002. Styrene dimers and trimers were found in PS products, which migrated into cupped noodles after cooking. No changes have been made in them. In Japan, the exposure to bisphenol A, nonylphenol and DEHP have been significantly reduced and people also have more concerns with the safety of food contact articles.

tris(nonylphenyl)phosphite

Phenol, 2-nonyl-, 1,1′,1′′-phosphite Use and Manufacturing

Methods of Manufacturing

Tris(nonylphenyl)phosphite is produced by reaction between nonylphenol and phosphorus trichloride in the presence of organic catalyst.|An improved process for the preparation of tris(nonylphenyl) phosphite is described which includes the steps of combining at least a 4 weight percent excess of nonylphenol (preferably 8 weight percent excess) with PCl cubed with agitation and heating sufficient to liberate HCl formed during the synthetic reaction as a by-product and removing the excess nonylphenol from the tris(nonylphenyl) phosphite by thin film distillation to reduce the residual chloride level to 90 ppm or less, an acid number of 0.1 or less and a nonylphenol content after stripping of 0.1 weight percent or less. The temperature of the reaction was from room temperature to 130 degrees C, and the temperature of the evaporator which removes the excess nonylphenol is from 100 degrees C to 350 degrees C, preferably from 150 degrees C to 250 degrees C, under a system vacuum of from 0.01 mm Hg to 5 mm Hg.

Production

According to the 2006 IUR submissions, Tris(nonylphenyl)phosphite had an aggregated production and/or import volume in the United States between 10 and 50 million pounds.|Phenol, nonyl-, phosphite 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).|Non-confidential 2012 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Phenol, nonyl-, 1,1',1''-phosphite. National Production Volume: 36,146,839 lb/yr.

Phenol, 2-nonyl-, 1,1',1''-phosphite: INACTIVE

This paper describes an analytical procedure to verify the "TNPP-free" statement in multilayer laminates used for bag-in-box packaging. The method involves extraction of TNPP from laminates with organic solvents followed by detection/quantification by LC-MS/MS using the atmospheric pressure chemical ionisation (APCI) mode. A further acidic treatment of the latter extract allows the release of 4NP from potentially extracted TNPP. 4NP is then analysed by LC-MS/MS using electrospray ionisation (ESI) mode. This two-step analytical procedure ensures not only TNPP quantification in laminates, but also allows the flagging of other possible sources of 4NP in such packaging materials, typically as non-intentionally added substances (NIAS). The limits of quantification were 0.50 and 0.48 ug dm sq. for TNPP and 4NP in laminates, respectively, with recoveries ranging between 87% and 114%. Usage of such analytical methodologies in quality control operations has pointed to a lack of traceability at the packaging supplier level and cross-contamination of extrusion equipment at the converter level, when TNPP-containing laminates are processed on the same machine beforehand.

Cosmetics -> Antioxidant

Computed Properties

Molecular Weight:689.0
XLogP3:19.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:30
Exact Mass:688.49843306
Monoisotopic Mass:688.49843306
Topological Polar Surface Area:27.7
Heavy Atom Count:49
Complexity:637
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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