1,6-Hexanediol

118.17

118.17

211-074-0

ZIA319275I

0491

508

DTXSID1027265

Crystalline needles

29053980

40.5

0.3

Liquid; OtherSolid; PelletsLargeCrystals

0.967 g/cm³ @ Temp: 0 °C

42.8 °C

208 °C @ Press: 760 Torr

297°F (open cup)

1.457

500 g/L

Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids.

0.53 mm Hg ( 20 °C)

0.967 at 32°F

LD50 orally in rats: 3.73 g/kg (Carpenter)

Explosive limits , vol% in air: 6.6-16

Henry's Law constant = 2.2X10-10 atm-cu m/mole at 25 °C (est)

Can react with oxidizing materials.|Hydroxyl radical reaction rate constant = 1.4X10-11 cu cm/molecule-sec at 25 °C (est)

320 °C

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

Critical temperature: 740.8 K; critical pressure: 4.08 megapascal

1

R36/37/38

36/37-24/25-23

MO2100000

Separated from strong oxidants.

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

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: 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.|Can react with oxidizing materials.

Organization for Economic Cooperation and Development; Screening Information Data Set for Hexamethylene glycol, CAS 629-11-8 (June 2000).[Available from, as of June 12, 2017: http://www.inchem.org/pages/sids.html]

Combustible. Finely dispersed particles form explosive mixtures in air.

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: Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place.|Respiratory protection: Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. 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.

Finely dispersed particles form explosive mixtures in air.|Explosive limits, vol% in air: 6.6-16.|Explosive limits , vol% in air: 6.6-16

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.|To fight fire, use foam, /carbon dioxide/, dry chemical

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Avoid breathing dust. Environmental precautions: No special environmental precautions required. 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.|Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Avoid breathing dust. Environmental precautions: No special environmental precautions required.|Precautions for safe handling: Further processing of solid materials may result in the formation of combustible dusts. The potential for combustible dust formation should be taken into consideration before additional processing occurs. Provide appropriate exhaust ventilation at places where dust is formed.|Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.|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.|For more Preventive Measures (Complete) data for 1,6-Hexanediol (7 total), please visit the HSDB record page.

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

Separated from strong oxidants.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

The substance is irritating to the eyes.

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

PREVENT DISPERSION OF DUST!

Use local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Hexamethylene glycol is produced, as an intermediate or a final product, by process units covered under this subpart.

1,6-Hexanediol was qualitatively detected in water samples collected from an advanced waste treatment facility in Pomona, CA on Sept 25, 1974(1).

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 1,6-hexanediol as of 2017(1).

IDENTIFICATION AND USE: 1,6-Hexanediol is a solid. It is used as intermediate in the production of nylon; to make hexamethylenediamine, polyesters, polyurethanes; in gasoline refining; as plasticizer. HUMAN STUDIES: 1,6-Hexanediol induced no intermediate filament aggregation or cytotoxicity in human fibroblasts. Cytotoxic effects in chondrocytes and lymphocytes as well as genotoxic effects in lymphocytes were dose-dependent with threshold value of 5mg/mL showing no effects. ANIMAL STUDIES: An 80% aqueous preparation was not irritating to rabbit skin after up to 20 hr occlusive exposure. It was not lethal to 3 rabbits given 3,000 mg/kg bw by gavage. Two cats dosed once with 300 mg/kg bw by gavage survived, while 2 out of 4 animals receiving 1,000 mg/kg bw died. No signs of neurotoxicity or histopathological alteration of nervous tissue was observed with 1,6-hexanediol in rats. Male and female rats received 0, 100, 400 and 1,000 mg/kg body weight hexanediol by gavage for 4 (males) to 6 (females) weeks to screen the effect of hexanediol on reproduction and developmental toxicity. Marginal retarded body weight development in males at 1,000 mg/kg bw was the only effects noted in this study. Hexandiol was not mutagenic in the Ames test when Salmonella typhimurium strains (TA 98, TA 100, TA 1535 and TA 1537) were exposed up to 5,000 ug/plate with and without metabolic activation.

LD50 Mouse ip 1738 mg/kg|LD50 Rabbit dermal >10,000 mg/kg|LD50 Mouse ip 2300 mg/kg bw|LD50 Rabbit dermal >2500 mg/kg bw|LD50 Rat oral 3730 mg/kg

1,6-Hexanediol's production and use as an intermediate in the production of nylon, to make hexamethylenediamine, polyesters, polyurethans, in gasoline refining and as a plasticizer(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 1,6-hexanediol is expected to have very high mobility in soil(SRC). Volatilization of 1,6-hexanediol from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.2X10-10 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1,6-Hexanediol is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 5.0X10-4 mm Hg(4). Results of 91 to 98% biodegradation after 28 days using aqueous biodegradation screening tests(5), suggest biodegradation is an important 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 1,6-hexanediol 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 2.2X10-10 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3.2(SRC), from an estimated log Kow of 0.76(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low. Results of 91 to 98% biodegrdation after 28 days using aqueous biodegradation screening tests(6), suggest biodegradation is an important fate process in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,6-hexanediol, which has an extrapolated vapor pressure of 5.0X10-4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,6-hexanediol 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 28 hrs(SRC), calculated from its estimated rate constant of 1.3X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1,6-Hexanediol 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 1,6-hexanediol with photochemically-produced hydroxyl radicals has been estimated as 1.3X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 28 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1,6-Hexanediol is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 1,6-Hexanediol 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 3.2 was calculated in fish for 1,6-hexanediol(SRC), using an estimated log Kow of 0.76(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 1,6-hexanediol can be estimated to be 1(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,6-hexanediol is expected to have very high mobility in soil.

The Henry's Law constant for 1,6-hexanediol is estimated as 2.2X10-10 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,6-hexanediol is expected to be essentially nonvolatile 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 65 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 greater than a year(SRC). 1,6-Hexanediol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not likely to occur(SRC). 1,6-Hexanediol is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 5.0X10-4 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 1,6-hexanediol as of 2017(1).|DRINKING WATER: 1,6-Hexanediol was qualitatively detected in drinking water samples collected from a treatment facility in Seattle, WA on Nov 5, 1976(1).

According to the 2016 TSCA Inventory Update Reporting data, 11 reporting facilities estimate the number of persons reasonably likely to be exposed during the manufacturing, processing, or use of 1,6-hexanediol in the United States may be as low as less than 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). Occupational exposure to 1,6-hexanediol may occur through inhalation and dermal contact with this compound at workplaces where it is produced or used(SRC).|NIOSH (NOES Survey 1981-1983) has statistically estimated that 3,529 workers (313 of these are female) are potentially exposed to 1,6-hexanediol in the US(1). Occupational exposure to 1,6-hexanediol may occur through inhalation and dermal contact with this compound at workplaces where it is produced or used(SRC).

There are no detailed studies with respect to toxicokinetics or metabolism. However, based on the structure and shown after oral application to rabbits, oxidation of both alcohol-groups resulting in the formation of adipic acid was observed.

... Impurities are various diols and epsilon-caprolactone as well as traces of water.

Fresh air, rest.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

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), maintain an open airway, and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Higher alcohols (>3 carbons) 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 shock and treat if necessary ... . Monitor for pulmonary edema 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 ... . /Higher alcohols (>3 carbons) 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 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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Monitor for signs of hypoglycemia (decreased LOC, tachycardia, pallor, dilated pupils, diaphoresis, and/or dextrose strip or glucometer readings below 50 mg) and administer 50% dextrose if necessary ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Higher alcohols (>3 carbons) and related compounds/

/GENOTOXICITY/ Tissue engineering of autologous cartilage transplants is suggested as a new approach in reconstruction of external auricular deformities. 1,6-Hexanediol (HD), 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) and 6-hydroxyhexanoic acid (HHA) are matrices of the open-pored polyurethane three-dimensional scaffold. Since these bioresorbable materials may interact with the human organism, cytotoxic effects on human chondrocytes and lymphocytes and genotoxic effects on human lymphocytes were monitored. Staining with propidium iodide and fluorescence diacetate as well as the EZ4U proliferation assay served for the detection of cytotoxic effects of the materials on human chondrocytes. Trypan blue staining was used to monitor cytotoxicity on lymphocytes. Genotoxic effects on lymphocytes in terms of strand breaks, alkali labile sites and incomplete excision repair were determined by the alkaline single cell microgel electrophoresis (Comet) assay. Cytotoxic effects in chondrocytes and lymphocytes as well as genotoxic effects in lymphocytes were dose-dependent with threshold values of 5 mg/mL HD, 0.5 mg/mL DBU and 0.03 mg/mL HHA showing no effects. These data suggest that these matrices could be safely used for scaffolds made of polyurethane unless these compounds are not released at a rate giving higher concentrations at the site of implantation or in body fluids, respectively.|/ALTERNATIVE and IN VITRO TESTS/ The effect of ... 1,6-hexanediol on the distribution of intermediate filaments in fibroblasts was studied. Skin fibroblasts from a normal 12 year old boy were cultured in minimum essential medium. Confluent cultures were exposed to medium containing 4, 8, or 16 mM 1,6-hexanediol. 1,6-Hexanediol induced no intermediate filament aggregation or cytotoxicity.

1,6-hexanediol

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

Redness.

... Pure product is about 98%.|>96% purity

All other chemical product and preparation manufacturing|1,6-Hexanediol: ACTIVE