1,3-Propanediol

76.09

76.09

207-997-3

5965N8W85T

65426

DTXSID8041246

Colorless to pale yellow, very viscid liquid

29053980

40.5

-1

Liquid; OtherSolid, Liquid

1.0573 g/cm³ @ Temp: 15 °C

-26.7 °C

214.4 °C

Flash Point: 174 deg F/ 345 deg C /closed cup/

1.438-1.44

100 g/L

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.

0.8 mm Hg ( 20 °C)

LD50 orally in Rabbit: 15670 mg/kg LD50 dermal Rabbit > 20000 mg/kg

Sweet

Henry's Law constant = 1.74X10-7 atm-cu m/mol at 25 °C (est)

BP: 209.5 °C; density: 1.070 g/cu cm at 14 °C; index of refraction: 1.4192 at 25 °C/D; very soluble in water; soluble in ethanol /1,3-Propanediol diacetate/|Hydroxyl radical reaction rate constant = 9.73X10-12 cu cm/molec-sec at 25 °C (est)

Ignition Temp: 752 °F/ 400 °C

1

23-24/25

TY2010000

Xi

Chemical stability: Stable under recommended storage conditions.

P264, P280, P302+P352, P321, P332+P313, P362

H315

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.

Incompatible materials: Acid chlorides, Acid anhydrides, Oxidizing agents, Chloroformates, Reducing agents.

Not Classified| |Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362

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: Impervious clothing. 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: Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Extinguishing method: alcohol resistant fire fighting foam.|Advice for firefighters: Wear self contained breathing apparatus for fire fighting 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.

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.

| 1 - Materials that, under emergency conditions, can cause significant irritation.| 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.| 0 - Materials that in themselves are normally stable, even under fire conditions.

1,3-Propanediol was detected in 13% of 54 electronic cigarette liquid samples at a mean of 0.6 g/100g; samples were purchased from 13 online venders representing 5 different countries of origin (8-Germany, 1-Spain, 3-United Kingdom, 1-Romania)(1). 1,3-Propanediol is listed as an ingredient in commercial and home cleaning products, and personal care products(2).

IDENTIFICATION AND USE: 1,3-Propanediol (PDO) is a colorless to pale yellow, very viscous liquid. It is mainly used in the production of polytrimethylene terephthalate polymer, which is used in fibers and fabrics, for example, textiles, engineering thermoplastics, and monofilaments. PDO also finds uses in cosmetics and personal care products, engine coolants, and solvents for ink-jet and screen inks. HUMAN EXPOSURE AND TOXICITY: In a single reported case study, the body of a 45-year-old female was found, with a suicide note and two antifreeze containers. Analysis of the body fluid collected from the decedent showed the presence of 58 mg/dL ethanol, but suspected ethylene glycol was not found in the sample. However, an unusually large peak of internal standard, PDO, was found in the sample. Gas chromatography-mass spectrometry analysis confirmed the presence of PDO, the concentration was determined to be 445 mg/dL. ANIMAL STUDIES: PDO was studied to determine the potential effects following repeated inhalation exposures to rats. Rats were exposed 6 hr/day, 5 days/wk for 2 weeks (9 exposures) to vapor or vapor/aerosol mixtures of either 0, 41, 650, or 1800 mg PDO/cubic meters. In vivo responses were observed or measured daily. No unusual external signs of response were seen, and no deaths were encountered. Clinical pathology (blood counts, serum chemical parameters) and tissue pathology (gross pathology, organ weights, and histopathology) examinations in the exposed rats were similar to those in the unexposed controls. The highest concentration tested, 1800 mg/ cubic meters, which was the highest concentration that could practically be generated, was the no-observed-effect level (NOEL) for this study. PDO does not appear to pose a significant hazard via inhalation of either the vapor or a vapor/aerosol mixture. PDO was non-mutagenic in Salmonella typhimurium strains TA1535, TA1537, TA98, TA100, and TA102 with or without activation. PDO is non-mutagenic in the in vivo mouse micronucleus test. It was also negative for the induction of structural and numerical chromosome aberrations in Chinese hamster V79 cells in the presence and absence of metabolic activation.

LD50 Rat oral 15 g/kg|LD50 Rabitt dermal > 20 g/kg|LD50 Mouse oral 4773 mg/kg

1,3-Propanediol's production and use as an anti-freeze and de-icing product; in building materials (including floor coverings); apparel and footwear care products; ink, toner and colorant products; laundry and dishwashing products; and personal care 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(SRC), determined from a structure estimation method(2), indicates that 1,3-propanediol is expected to have very high mobility in soil(SRC). Volatilization of 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 1.7X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(2). 1,3-Propanediol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.044 mm Hg at 25 °C(3). A 11-16% of theoretical BOD using sewage sludge in a 5 day BOD test(4) suggests that biodegradation may be 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 1,3-propanediol is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.7X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). 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). According to a classification scheme(4), an estimated BCF of 3(SRC), from its log Kow of -1.04(5) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). A 11-16% of theoretical BOD using sewage sludge in a 5 day BOD test(6) suggests that biodegradation may be 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), 1,3-propanediol, which has a vapor pressure of 0.044 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 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 40 hours(SRC), calculated from its rate constant of 9.7X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 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 1,3-propanediol with photochemically-produced hydroxyl radicals has been estimated as 9.7X10-12 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 40 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1,3-Propanediol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 1,3-Propanediol 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).

An estimated BCF of 3 was calculated in fish for 1,3-propanediol(SRC), using a log Kow of -1.04(1) and a regression-derived equation(2). 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 1,3-propanediol can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-propanediol is expected to have very high mobility in soil.

The Henry's Law constant for 1,3-propanediol is estimated as 1.7X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,3-propanediol is expected to be essentially nonvolatile from water and moist soil surfaces(2). 1,3-Propanediol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.044 mm Hg(3).

According to the 2012 TSCA Inventory Update Reporting data, 5 reporting facilities estimate the number of persons reasonably likely to be exposed in the manufacturing, processing, or use of 1,3-propanediol in the United States may be as low as <10 workers up to the range of 50-99 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 12,083 workers (126 of these are female) were potentially exposed to 1,3-propanediol in the US(1). Occupational exposure to 1,3-propanediol may occur through inhalation and dermal contact with this compound at workplaces where 1,3-propanediol is produced or used. Monitoring and use data indicate that the general population may be exposed to 1,3-propanediol via dermal contact with consumer products, and inhalation of electronic cigarette vapors containing 1,3-propanediol(SRC).

/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/

/CASE REPORTS/ The decomposed body of a 45-year-old female was found, face down, in a mobile home, along with a suicide note and two antifreeze containers. Analysis of the body fluid collected from the decedent showed the presence of 58 mg/dL ethanol, but suspected ethylene glycol was not found in the sample. However, an unusually large peak of internal standard, 1,3-propanediol, was found in the sample. Gas chromatography-mass spectrometry analysis confirmed the presence of 1,3-propanediol in the sample. Using gas chromatography-flame-ionization detection, the concentration of 1,3-propanediol was determined to be 445 mg/dL. To our knowledge, this is the first report involving 1,3-propanediol as the cause of death. The study also highlights the importance for the close scrutiny of data, as 1,3-propanediol is a frequently used internal standard for the assay of glycols.

1,3-propanediol

All other basic organic chemical manufacturing|1,3-Propanediol: ACTIVE

A method for the gas chromatographic-mass spectrometric identification and quantification of ethylene glycol and diethylene glycol in plasma is described. Such a method is necessary in clinical and forensic toxicology to diagnose probable intoxication and to control the efficacy of detoxification. For sample preparation, the glycols were isolated using acetone after the addition of 1,3-propylene glycol as internal standard. The glycols were then esterified by pivalic acid (pivalic acid anhydride, triethylamine and methanol, 70 degrees C, 15 min) to improve their gas chromatographic characteristics. The glycols were first identified by a comparison of the full mass spectra with reference spectra and then quantified. Therefore, the peak area ratio in the total ion chromatogram (ethylene glycol or diethylene glycol/1,3-propanediol) of the sample was compared with the calibration curve in which the peak area ratios of the standards (0.05, 0.1, 0.5, 1 and 2 g/l), prepared in the same way, were plotted versus their concentrations. The method was linear at least from 0.05 to 2 g/L, with a detection limit of less than 0.01 g/L. The analytical recoveries were 99.2-102.9% for the different concentrations. Precision studies show coefficients of variation of 3.0-6.3% for the different concentrations.|Intoxications with the antifreeze constituent ethylene glycol (EG) occur infrequently, but may be fatal if not recognized and treated promptly. The aim of the present work was to develop an analytical method for rapid diagnosis of EG poisoning and for monitoring EG removal by hemodialysis. EG was measured by gas chromatography upon direct injection of serum or urine samples (50 microL diluted in 200 microL of distilled water containing 2,3-butanediol as internal standard). A 2-m x 2-mm glass column with Chromosorb 101 (80/100 mesh) separates these glycols within four minutes at 200 degrees C, using nitrogen as the carrier gas. The glycols 1,2- and 1,3-propanediol were separated from EG and the internal standard. Acetone, methanol, and isopropanol did not interfere with the analysis. The limit of quantitation of EG was close to 0.5 mM. Because no derivatization, extraction, or concentration procedures were necessary, EG may be determined quantitatively within 30 min, allowing for monitoring of hemodialysis, which should be performed for 15 hr in severe cases. The diagnosis of ethylene glycol intoxication in a late stage may be secured by analysis of urine collected on admission.|A liquid chromatography coupled with electrospray tandem mass spectrometry method was developed for the analysis of ethylene glycol, diethylene glycol, triethylene glycol, 1,4-butanediol, 1,2-butanediol, 2,3-butanediol, 1,2-propanediol and 1,3-propanediol, in serum after a Schotten-Baumann derivatization by benzoyl chloride. Usual validation parameters were tested: linearity, repeatability and intermediate precision, limits of detection and quantification, carry over and ion suppression. Limits of detection were between 0.18 and 1.1 mg/L, and limits of quantification were between 0.4 and 2.3 mg/L. Separation of isomers was possible either chromatographically or by selecting specific multiple reaction monitoring transitions. This method could be a useful tool in case of suspected intoxication with antifreeze agents, solvents, dietary supplements or some medical drug compounds.|LC/MS/MS analyses.

EPA Safer Chemical Functional Use Classes -> Enzymes and Enzyme Stabilizers;Solvents|Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern