2-METHYL-1,3-PROPANEDIOL

90.12

90.12

1731422

412-350-5

N8F53B3R4R

TSCA listed

DTXSID3029231

Colourless

2905.39.9000

40.5

-0.3

colourless liquid

1.015 g/mL at 25 °C (lit.)

-91 °C (lit.)

123-125 °C/20 mmHg (lit.)

100 ºC

n20/D1.445(lit.)

In water, 1.363X10+5 mg/L at 25 deg C (est)

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

2.1X10-2 mm Hg at 25 deg C

3.2 (vs air)

little to no odor

14.51±0.10(Predicted)

6.9×102mol/(m3Pa) at 25℃, Wang et al. (2017)

log Kow = -0.6 at 25 °C|Hydroxyl radical reaction rate constant = 1.1X10-11 cu cm/molecule-sec at 25 °C (est)

Sealed in dry,Room Temperature

NONH for all modes of transport

1

R36/37/38

26-36/37/39

Stable under recommended storage conditions.

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

36/37/38

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; Contaminated packaging: Dispose of as unused product.

Incompatible materials: Strong oxidizing agents.

|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 185 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified

Eye/face protection: 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: Impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.|Respiratory protection: Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (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.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapours, mist or gas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Keep in suitable, closed containers for disposal.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid breathing vapours, mist or gas. Environmental precautions: Do not let product enter drains.|Appropriate engineering controls: General industrial hygiene practice.|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.

SEDIMENT: Water quality data compiled from the Retrieval (STORET) Data Warehouse and the USGS National Water Information System (NWIS) reports sediment monitoring data for various chemicals but does not include 2-methyl-1,3-propanediol as of 2017(1).

IDENTIFICATION AND USE: 2-Methyl-1,3-propanediol is a clear, colorless liquid. It is used as a solvent in personal care products (neutralizer, emollient, emulsifier, and humectant) as well as in the manufacture of resins and coatings. HUMAN STUDIES: 2-Methyl-1,3-propanediol was not irritating to human skin. Five studies evaluated the potential for dermal sensitization in humans. Mild skin irritation was observed in some subjects during the induction phase (< 10% of participants). A mild delayed reaction was seen during the challenge phase in only one study (< 5% of subjects), but it is unclear if these were irritant or allergic in nature. Human lymphocytes were exposed to 2-methyl-1,3-propanediol at concentrations of 10-5000 g/mL in the absence of metabolic activation and 333- 5000 ug/mL in the presence of activation. Cytotoxicity was not observed at any dose. There was no biologically meaningful increase in chromosomal aberrations. ANIMAL STUDIES: 2-Methyl-1,3-propanediol was not irritating to rabbit skin and rabbit eyes. 2-Methyl-1,3-propanediol was mildly sensitizing in a guinea pig maximization test. Rats (10/sex) were administered 2-methyl-1,3-propanediol via gavage at 5000 mg/kg-bw and observed for 14 days. Clinical signs of toxicity included diarrhea, chromorhinorrhea and soiling of the anogenital area. Rabbits (10/sex) were administered 2-methyl-1,3-propanediol dermally at 2000 mg/kg-bw for 24 hours and observed for 14 days. Clinical signs of toxicity included diarrhea, yellow nasal discharge, few feces, bloated abdomen and soiling of the anogenital area. No developmental effects was noted in a two-generation reproductive toxicity study in rats. In another experiment, a slight decrease in fetal body weight (< 2% decrease) was observed in litters from dams given 1000 mg/kg-bw/day. It was not teratogenic in rats. 2-Methyl-1,3-propanediol was not mutagenic in Salmonella typhimurium strains TA1537, TA98, TA1535 and TA100 and in Chinese hamster cells (V79) with or without metabolic activation. ECOTOXICITY STUDIES: The chemical was not toxic to Carp (Cyprinus carpio), water fleas (Daphnia magna), or green algae (Scendesmus subspicatus).

LD50 Rat oral >5000 mg/kg bw|LC50 Rat inhalation >5.1 mg/L/4 hr|LD50 Rabbit dermal >2000 mg/kg bw

/AQUATIC SPECIES/ Carp (Cyprinus carpio, 10/vessel) were exposed to 2-methyl-1,3-propanediol at nominal concentrations of 0.1, 1.0, 10, 100 or 1000 mg/L under static conditions for 96 hours. Mean measured concentrations for the highest nominal concentration were 891 mg/L at the start of the study and 979 mg/L at 96 hours. No mortality was noted at any point in either control or test vessels in the study.|/AQUATIC SPECIES/ Water fleas (Daphnia magna, 10/vessel) were exposed to 2-methyl-1,3-propanediol at nominal concentrations of 0.1, 1.0, 10, 100 or 1000 mg/L under static conditions for 48 hours. Mean measured concentrations for the highest nominal concentration were 1023 mg/L at the start of the study and 1032 mg/L at 96 hours. No immobilization was noted at 24 or 48 hours in either the control or test vessels.|/AQUATIC SPECIES/ Green algae (Scendesmus subspicatus) were exposed to 2-methyl-1,3-propanediol at nominal concentrations of 0, 100, 180, 320, 560 or 1000 mg/L under static conditions for 72 hours. Measured concentrations for the 100, 320 and 1000 mg/L were 120, 361 and 873 mg/L at the start of the study and 100, 383 and 1023 mg/L at 72 hours. No significant inhibition of cell growth or reduction of growth rate was noted at any concentration tested.

2-Methyl-1,3-propanediol's production and use as a solvent in consumer and commercial ink, toner, and colorant products(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 1.7(SRC), determined from a log Kow of 0.24(2) and a regression-derived equation(3), indicates that 2-methyl-1,3-propanediol is expected to have very high mobility in soil(SRC). Volatilization of 2-methyl-1,3-propanediol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.3X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(4). 2-Methyl-1,3-propanediol not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.1X10-2 mm Hg at 25 °C(2). Utilizing the Strum test, 6-54% biodegradation was reached in 4 weeks(2) indicating that biodegradation may occur under certain environmental conditions, however, 2-methyl-1,3-propanediol is not expected to biodegrade rapidly in soil.|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1.7(SRC), determined from a log Kow of 0.24(2) and a regression-derived equation(3), indicates that 2-methyl-1,3-propanediol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(4) based upon an estimated Henry's Law constant of 2.3X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). According to a classification scheme(6), an estimated BCF of 3(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Utilizing the Strum test, 6-54% biodegradation was reached in 4 weeks(2) indicating that biodegradation may occur under certain environmental conditions, however, 2-methyl-1,3-propanediol is not expected to biodegrade rapidly in water.|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2-methyl-1,3-propanediol, which has a vapor pressure of 2.1X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-methyl-1,3-propanediol 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 34 hours(SRC), calculated from its rate constant of 1.1X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2-Methyl-1,3-propanediol 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 2-methyl-1,3-propanediol with photochemically-produced hydroxyl radicals has been estimated as 1.1X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 34 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2-Methyl-1,3-propanediol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). 2-Methyl-1,3,-propanediol does not contain chromophores that absorb at wavelengths >290 nm(3) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC).

An estimated BCF of 3 was calculated for 2-methyl-1,3-propanediol(SRC), using a log Kow of 0.24(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).

The Koc of 2-methyl-1,3-propanediol is estimated as 1.7(SRC), using a log Kow of 0.24(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2-methyl1,3-propanediol is expected to have very high mobility in soil.

The Henry's Law constant for 2-methyl-1,3-propanediol is estimated as 2.3X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-methyl-1,3-propanediol is expected to be essentially nonvolatile from water surfaces(2). 2-Methyl-1,3-propanediol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.1X10-2 mm Hg(3).

Water quality data compiled from the Retrieval (STORET) Data Warehouse and the USGS National Water Information System (NWIS) reports surface water and ground water monitoring data for various chemicals but does not include 2-methyl-1,3-propanediol as of 2017(1).

According to the 2016 TSCA Inventory Update Reporting data, 7 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of 2-methyl-1,3-propanediol in the United States may be as low as less than 10 workers and as high as 1,000 workers per plant; the data may be greatly underestimated due to confidential business information (CBI) or unknown values(1).|Occupational exposure to 2-methyl-1,3-propanediol may occur through inhalation and dermal contact with this compound at workplaces where 2-methyl-1,3-propanediol is produced or used. Use data indicate that the general population may be exposed to 2-methyl-1,3-propanediol via dermal contact with consumer products containing 2-methyl-1,3-propanediol. (SRC)

The absorption, distribution, elimination, and metabolic fate of 2-methyl-1, 3- propanediol were determined in female Sprague-Dawley (SD) rats following oral gavage administration of [2-14C]-2-methyl-1, 3- propanediol at either 1000 or 100 mg/kg. Absorbed radioactivity was eliminated rapidly, with the majority recovered by 12 hr as either expired exhaled CO2 or in urine (combined urine and cage wash).

/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/

/HUMAN EXPOSURE STUDIES/ Volunteers (25 male and female subjects, ages 18-70 years) were dermally exposed daily to 2-methyl-1,3-propanediol as an undiluted liquid (100%) or as a 50% aqueous solution under an occluded dressing for 14 days. 2-Methyl-1,3-propanediol did not exhibit a potential for cumulative dermal irritation in 25 subjects with self-assessed sensitive skin. 2-Methyl-1,3-propanediol was not irritating to human skin in this assay.|/HUMAN EXPOSURE STUDIES/ Five studies evaluated the potential for dermal sensitization in humans. Male and female subjects (104-110/study) were given a patch-test using 2-methyl-1,3-propanediol. In the induction phase, approximately 0.2 mL of 2-methyl-1,3-propanediol (50% aqueous dilution) was applied to the skin with an occlusive or semi-occlusive dressing and removed after 24 hours. The application was repeated 3 times/week for a total of 9-10 applications. Skin reactions were evaluated 24 or 48 hours later, immediately prior to re-application of the patch. In the challenge phase, a patch containing 2-methyl-1,3-propanediol (50% aqueous dilution) was applied 2 weeks after the 10th application (occlusive or other condition was not specified). These were removed after a 24-hour contact period and reactions at the skin site assessed immediately and again after 24-72 hours. Subjects that responded to the challenge were re-challenged 7 days later under occlusive and semi-occlusive conditions. Mild skin irritation was observed in some subjects during the induction phase (< 10% of participants). A mild delayed reaction was seen during the challenge phase in only one study (< 5% of subjects), but it is unclear if these were irritant or allergic in nature.|/GENOTOXICITY/ In vitro Human lymphocytes were exposed to 2-methyl-1,3-propanediol at concentrations of 10-5000 ug/mL in the absence of metabolic activation and 333-5000 ug/mL in the presence of activation. Positive controls were tested concurrently and produced an appropriate response. Cytotoxicity was not observed at any dose. There was no biologically meaningful increase in chromosomal aberrations.

2-methyl-1,3-propanediol

All other basic organic chemical manufacturing|1,3-Propanediol, 2-methyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Cosmetics -> Solvent