Neopentyl glycol

104.148

104.15

204-781-0

QI80HXD6S5

0305

55836|6366

2811

DTXSID8027036

Needles from benzene|Crystalline solid

29053990.9

40.46

0

white crystalline solid

1.1 g/cm³

127 °C

210 °C

107 °C

1.443

Solubility in water, g/100ml at 20°C: 83

Keep container tightly closed in a dry and well-ventilated place. Hygroscopic.

0.0215mmHg at 25°C

3.6 (vs air)

Rat oral LD50 ≥ 6400mg / kg. The oral LD50 of mice was 3200-6400 mg / kg.

vol% in air: 1.11.4

Sweetish

Henry's Law constant = 3.06X10-7 atm-cu m/mol at 25 °C (est)

Enthalpy of vaporization: 79.4 kJ/mol at 415 K|Hydroxyl radical reaction rate constant = 8.66X10-12 cu cm/molec-sec at 25 °C (est)

Soluble in water.

Alcohols and Polyols

2,2-DIMETHYLPROPANE-1,3-DIOL may generate toxic gases in combination of with alkali metals, nitrides, and strong reducing agents. Reacts with inorganic acids and carboxylic acids to form esters plus water. Converted to aldehydes or acids by oxidizing agents. May initiate the polymerization of isocyanates and epoxides.

730 °F (USCG, 1999)|750 °F (399 °C)|388 °C

Dust explosion possible if in powder or granular form, mixed with air.

NONH for all modes of transport

1

R36

S26-S36-S39

TY5775000

Xi

Separated from oxidants. Dry.

Stable. Incompatible with strong oxidizing agents, acetic anhydride, acid chlorides, moisture. Combustible.

P280-P305 + P351 + P338

H318

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: Contact a licensed professional waste disposal service to dispose of this material. Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging: Dispose of as unused product.

Can react with oxidizing matrials.

Special Hazards of Combustion Products: Emits toxic fumes under fire condition. (USCG, 1999)|Combustible. Finely dispersed particles form explosive mixtures in air.

|Danger|H315 (21.31%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1022 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. (ERG, 2016)

Self-contained breathing apparatus, rubber boots, and heavy rubber gloves. (USCG, 1999)|Eye/face protection: Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).|Skin protection: Handle with gloves.|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.|Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator type N100 (US) or type P3 (EN 143) 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).

Combustible when exposed to heat or flame.

Explosive limits , vol% in air: 1.1-11.4

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

ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

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.|Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.|ACCIDENTAL RELEASE MEASURES; Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Do not let product enter drains.|Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

Three rats were exposed to vapor at 4000 ppm for 6 hours a day for ten days. Symptoms of irritation of the respiratory tract /was/ detected.

Personal protection: P2 filter respirator for harmful particles. Sweep spilled substance into covered containers. Remove gas with fine water spray.

Separated from oxidants. Dry.

Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.

The substance is irritating to the eyes and respiratory tract.

NO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.

Avoid inhalation of dust and mist. Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 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.

Neopentyl glycol was detected at a concentraiton of 14.7 ug/L in an industrial landfill leachate sampled Decemeber 1996. It was not detected in in an industrial effluent from a petrochemical plant taken in July 1996, January 1997, or March 1997 (landfill leachate); detection limit = 1.0 ug/L(1).

Plasticizers in 101 samples of polyvinyl chloride (PVC) toys on the Japanese market were surveyed. No phthalates were detected in designated toys, though bis(2-ethylhexyl)phthalate, diisononyl phthalate, diisobutyl phthalate, dibutyl phthalate, diisodecyl phthalate and benzyl butyl phthalate were detected in more than half of other toys. 2,2,4-Tributyl-1,3-pentanediol diisobutylate, o-acetyl tributyl citrate, adipates and diacetyl lauroyl glycerol, which are alternative plasticizers to phthalates, were detected. The results of structural analysis confirmed the presence of di(2-ethylhexyl)terephthalate, tributyl citrate, diisononyl 1,2-cyclohexanedicarboxylate and neopentyl glycol esters; these have not previonsly been reported in Japan. There appears to be a shift in plasticizers used for designated toys from phthalates to new plasticizers, and the number of different plasticizers is increasing. /Neopentyl glycol esters/

IDENTIFICATION AND USE: Neopentyl glycol (NPG) is a solid. It is used in chemical synthesis, and in polyester manufacture. An insect repellent. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: NPG was not irriating to skin in rabbits, and non sensitizing to the skin in the Murine Local Lymph Node Assay. NPG was practically non-toxic in acute studies in rats and guinea pigs. No treatment-related, adverse findings were observed at clinical examinations, clinical pathology and pathology up to a dose level of 1000 mg/kg bw/d in 90 day oral gavage studies in rats. In other rat study reproductive performance of the parent generation and development of the F1 generation were not affected after oral application of dose levels up to 1000 mg/kg bw/day. In male rats single i.p. injection of 2000 mg/kg bw resulted in a mid level of ataxia but no loss of righting reflex. NPG had no mutagenic activity in Salmonella typhimurium TA 100, TA 1535, TA 98, TA 1537, or in Escherichia coli WP2 uvrA tested with and without metabolic activation at dose levels up to 5000 ug/plate. NPG was not mutagenic in the HPRT locus assay under in vitro conditions in CHO cells in the absence and the presence of metabolic activation.

LD50 Guinea pig dermal 4000 mg/kg bw|LD50 Rat oral 6400 - 7120 mg/kg bw

Neopentyl glycol's production and use in the production of plasticizers and polyesters and as a modifier of alkyd 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 1(SRC), determined from a structure estimation method(2), indicates that neopentyl glycol is expected to have very high mobility in soil(SRC). Volatilization of neopentyl glycol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.1X1-07 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Neopentyl glycol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27X10-2 mm Hg at 25 °C(3). Utilizing the Japanese MITI test, 1.2% of the Theoretical BOD was reached in 2 weeks(4) indicating that biodegradation is not an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that neopentyl glycol is not 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 3.1X10-7 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 122 and 890 days, respectively(SRC). According to a classification scheme(4), a BCF range of 0.3-0.5(5) suggests bioconcentration in aquatic organisms is low(SRC). Utilizing the Japanese MITI test, 1.2% of the Theoretical BOD was reached in 2 weeks(5) indicating that biodegradation is not an important environmental fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), neopentyl glycol, which has a estimated vapor pressure of 1.27X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase neopentyl glycol 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 44 hrs(SRC), calculated from its rate constant of 8.7X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Neopentyl glycol does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of neopentyl glycol with photochemically-produced hydroxyl radicals has been estimated as 8.7X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 44 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Neopentyl glycol is expected to undergo hydrolysis in the environment due to the presence of functional groups that hydrolyze under environmental conditions(2). Neopentyl glycol does not contain chromophores that absorb at wavelengths >290 nm(2) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

4.68|A BCF range of 0.3-0.5 was calculated in fish for neopentyl glycol at 10 ppm using carp (Cyprinus carpio) which were exposed over an 6-week period(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 neopentyl glycol can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that neopentyl glycol is expected to have very high mobility in soil(SRC).

The Henry's Law constant for neopentyl glycol is estimated as 3.1X10-7 atm-cu m/mole(SRC) developed using a fragment constant estimation method(1). This Henry's Law constant indicates that neopentyl glycol 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 122 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 890 days(SRC). Neopentyl glycol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Neopentyl glycol is is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.27X10-2 mm Hg(3).

According to the 2016 TSCA Inventory Update Reporting data, 14 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of neopentyl glycol in the United States may be as low as 10 workers and as high as 500 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 6957 workers (1200 of these are female) were potentially exposed to neopentyl glycol in the US(1). Occupational exposure to neopentyl glycol may occur through inhalation and dermal contact with this compound at workplaces where neopentyl glycol is produced or used. Use data indicate that the general population is not likely to be exposed to neopentyl glycol(SRC).

4 rabbits were gavaged with 1000 -1500 mg/kg bw unlabelled neopentyl glycol and excretion of the test substance and their metabolites via urine was determined the following 24 hr (pooled data). After oral application 62% (range 53-67%) of the applied dose was found in the 24-hr urine as the conjugate of glucuronic acid indicating rapid absorption. Only 1.9% of the applied dose was excreted as 3-hydroxy-2,2-dimethylpropionic acid and 0.7% as unchanged neopentyl glycol. Conclusion: Rapid absorption of the test substance after oral exposure followed by conjugation with glucuronic acid and excretion via urine.

4 rabbits were gavaged with 1000 -1500 mg/kg bw unlabelled neopentyl glycol and excretion of the test substance and their metabolites via urine was determined the following 24 hr (pooled data). After oral application 62% (range 53-67%) of the applied dose was found in the 24-hr urine as the conjugate of glucuronic acid indicating rapid absorption. Only 1.9% of the applied dose was excreted as 3-hydroxy-2,2-dimethylpropionic acid and 0.7% as unchanged neopentyl glycol. Conclusion: Rapid absorption of the test substance after oral exposure followed by conjugation with glucuronic acid and excretion via urine.

Impurities may include neopentyl glycol monoformate, neopentyl glycol monoisobutyrate, 2,2,4-trimethyl-1,3-pentanediol, and the cyclic acetal from the reaction of hydroxypivaldehyde and neopentyl glycol.

May be harmful by ingestion or skin absorption. Causes eye and skin irritation. Material is irritating to mucous membrane and upper respiratory tract. INHALATION: Call for medical aid. Remove to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. (USCG, 1999)

EYES: Flush with copious amounts of water. SKIN: Wash with soap and copious amounts of water. (USCG, 1999)

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

/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 as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on 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. /Ethylene glycol, glycols, and related compounds/|/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 necessary. 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. Administer activated charcoal ... . /Ethylene glycol, glycols, and related compounds/|/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 ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Ethylene glycol, glycols, and related compounds/

/BIOMONITORING/ Patients attending a general hospital for various reasons were screened for raised serum gamma glutamyltransferase (gamma-GT) and positive blood alcohol concentration (BAC). The results served as objective biochemical tests of heavy drinking. Among 419 individuals, 50 (11.9%) met these requirements and blood samples were used to determine the presence of low molecular mass aliphatic diols. 1,2-Propanediol, 2,3-butanediol and 2,2-dimethyl-1,3-propanediol were determined by gas liquid chromatography-mass spectrometry (GC-MS). In patients with blood ethanol concentration less than 2 mmol/L, 1,2-propanediol and 2,2-dimethyl-1, 3-propanediol mainly occurred together at median concentrations of about 200 umol/L. When blood ethanol was 2-42 mmol/L, 2,3-butanediol was also present covering a wide concentration range: three patients had concentrations between 6 and 10 mmol/L. There was no apparent correlation between the concentration of 2,3-butanediol and the concentration of blood ethanol. The diols were below the limits of detection in blood from nonintoxicated control individuals and hospital in-patients.

2,2-dimethyl-1,3-propanediol

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion.

Cough.

Redness.

Redness. Pain.

Adhesive manufacturing|1,3-Propanediol, 2,2-dimethyl-: ACTIVE|2,2-Dimethyl-1,3-propanediol readily absorbs moisture on exposure to air.

...1,2-Propanediol, 2,3-butanediol and 2,2-dimethyl-1,3-propanediol were determined by gas liquid chromatography-mass spectrometry (GC-MS). ...