Diethyl acetal

118.17

118.17

1098310

203-310-6

5G14F9E2HB

1070

7624

1088

DTXSID6030607

COLORLESS LIQUID

29110000

18.5

0.84

Clear colorless Liquid

0.8254 g/cm³ @ Temp: 20 °C

-100 °C

-23 °C @ Press: 1.0 Torr

-6 °F

n 20/D 1.379-1.383(lit.)

H2O: 46 g/L (25 ºC)

Refrigerator (+4°C) + Flammables area

20 mm Hg ( 20 °C)

4.1 (vs air)

Oral-Rat LD50: 4600 mg/kg; Oral-Mouse LD50: 3500 mg/kg

Inflammable in case of open flame, high temperature, oxidant; burning produces irritating smoke

1.6-10.4%(V)

PUNGENT, GREEN, WOODY SOLVENT ODOR

WHISKEY TASTE

FORMS A CONSTANT BOILING MIXTURE WITH ETHYL ALCOHOL; SPECIFIC HEAT: 0.520|Liquid molar volume = 0.14389 cu m/kmol|IG Heat of Formation = -4.5350X10+8 J/kmol|VAPOR PRESSURE = 20 MM HG AT 19.6 °C

Highly flammable. Forms heat-sensitive explosive peroxides on contact with air. Slightly soluble in water.

Ethers

Highly Flammable

ACETAL can react vigorously with oxidizing agents. Stable in base but readily decomposed by dilute acids. Forms heat-sensitive explosive peroxides on contact with air. Old samples have been known to explode when heated due to peroxide formation [Sax, 9th ed., 1996, p. 5].

Acetal|B: Compounds that form peroxides on concentration (distillation/evaporation)|2 samples had 10-30 ppm peroxide; age 6 to >10 yrs|Kelly|Mee, A. J., School Sci. Rev., 1940, 22(86), 95

446 °F (USCG, 1999)|446 °F (230 °C)|230 °C

LOWER 1.6%; UPPER 10.4%

The vapour is heavier than air and may travel along the ground; distant ignition possible.

43.20 kJ/mol @ 25 °C

II

3

UN 1088 3/PG 2

2

11-36/38

9-16-33

AB2800000

F,Xi

The warehouse is ventilated, low temperature and dry; stored separately from oxidants and acids

Explosive when mixed with air; explosive if produced in exposed air

Stable. Highly flammable. May form peroxides in storage. Test for peroxides before use. Vapors may form an explosive mixture with air, and may travel to source of ignition and flash back.

P210-P305 + P351 + P338

H225-H315-H319

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

...CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.

Acetal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

Special Hazards of Combustion Products: Explosive Behavior in Fire: In fire, may decompose to form flammable or explosive mixtures in air. Old samples may explode upon heating. (USCG, 1999)|Highly flammable. Vapour/air mixtures are explosive.|Flammable - 3rd degree

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|H225 (98.68%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 1818 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P312, P337+P313, P370+P378, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). 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 127 [Flammable Liquids (Water-Miscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. (USCG, 1999)|Personnel protection: ... Wear appropriate chemical protective gloves, boots and goggles.

DANGEROUS, DUE TO FIRE AND EXPLOSION HAZARDS. DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME

IN AIR 1.6-10.4%.|MODERATE, WHEN EXPOSED TO FLAME. OLD SAMPLES HAVE BEEN KNOWN TO EXPLODE UPON HEATING.|A peroxidized sample exploded violently during distillation.|Explosive limits , vol% in air: 1.6-10.4

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use "alcohol" foam, dry chemical or carbon dioxide.|Evacuation: If fire becomes uncontrollable or container is exposed to direct flame - consider evacuation of one-third (1/3) mile radius.

If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to disperse vapors and dilute standing pools of liquid.|Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.|Evacuation: ... If material leaking (not on fire) consider evacuation from downwind area based on amount of material spilled, location and weather conditions.

/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control may cause pollution.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 127: FLAMMABLE LIQUIDS (Polar/Water-Miscible)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for ACETAL (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Fireproof. Separated from strong oxidants. Cool. Keep in the dark. Well closed. Store only if stabilized.

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, skin and respiratory tract. Exposure could cause lowering of consciousness.

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Do NOT use compressed air for filling, discharging, or handling. Use non-sparking handtools.

Use ventilation, local exhaust or breathing protection.

Protective gloves.

Wear safety spectacles.

| 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.| 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Acetal was qualitatively identified in trench leachate samples collected from commercially operated low-level radioactive waste disposal sites at Maxey Flats, KY and at West Valley, NY(1). Acetal was listed as a contaminant found in advanced wastewater treatment for a survey of US cities including Lake Tahoe, CA and the Blue Plains plant in Washington, DC(2).

moderately

LD50 Rat oral 4.6 g/kg /From table/|LD50 Rat ip 0.9 g/kg /From table/|LD50 Rabbit skin 10 g/kg /From table/

Acetal has been identified in commercial and concentrated aqueous orange essence(1). Acetal has also been identified as a headspace volatile of a sample of genuine French cognac (40 vol% ethanol content)(2).

Acetal's production and use as a synthetic flavoring ingredient(1), a solvent(2), a hypnotic(2), in organic synthesis(2), perfumes(2), and in cosmetics(3) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that acetal will have high mobility in soil(SRC). Volatilization of acetal may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 9.75X10-5 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5), and from dry soil surfaces(SRC) based on an experimental vapor pressure of 27.6 mm Hg(5). Insufficient data are available to determine the rate or importance of biodegradation of acetal in soil(SRC).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an experimental log Kow(2) and a recommended regression-derived equation(3), indicates that acetal would not adsorb to suspended solids and sediment(SRC) in the water. Acetal would volatilize from water surfaces based on an estimated Henry's Law constant of 9.75X10-5 atm-cu m/mole(SRC), calculated from experimental values for vapor pressure(4) and water solubility(5). Estimated half-lives for a model river and model lake are 13 hours and 7.3 days, respectively(3,SRC). An estimated BCF value of 2.6(3,SRC), from an experimental log Kow(2), suggests that acetal will not bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(6). Acetals are easily cleaved by dilute acids by the SN1 mechanism(7). However, they are extremely resistant to hydrolysis by bases(7). Therefore, hydrolysis of acetal is expected to be an important fate process in acidic water conditions(SRC). Insufficient data are available to determine the rate or importance of biodegradation of acetal in water(SRC).|ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 27.6 mm Hg at 25 °C(2) indicates that acetal will exist in the vapor phase in the ambient atmosphere. Vapor-phase acetal 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 about 19.6 hours(3,SRC).

The rate constant for the vapor-phase reaction of acetal with photochemically produced hydroxyl radicals has been estimated as 1.96X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 19.6 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Acetals are easily cleaved by dilute acids by the SN1 mechanism(2). However, they are extremely resistant to hydrolysis by bases(2). Therefore, hydrolysis of acetal is expected to be an important fate process in water(SRC).

An estimated BCF value of 2.6 was calculated for acetal(SRC), using an experimental log Kow of 0.84(1) and a recommended regression-derived equation(2). According to a recommended classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms will be low(SRC).

The Koc of acetal is estimated as approximately 68(SRC), using an experimental log Kow of 0.84(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that acetal has high mobility in soil(SRC).

The Henry's Law constant for acetal is estimated as 9.75X10-5 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 27.6 mm Hg(1), and water solubility, 44,000 mg/l(2). This value indicates that acetal will volatilize from water surfaces(3,SRC). 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) is estimated as approximately 13 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 7.3 days(3,SRC). Acetal's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces may occur(SRC).

DRINKING WATER: Acetal has been identified in drinking water(1).|GROUND WATER: In a survey of raw and treated waters, acetal was qualitatively identified in ground water(1).|SURFACE WATER: In a survey of raw and treated waters, acetal was qualitatively identified in river and lowland reservoir water(1). Acetal has also been identified in the Glass River, Switzerland(2).

Acetal has been identified in commercial and concentrated aqueous orange essences(1). Acetal was identified as a volatile component of pork and beef(2). Acetal has also been identified as a headspace volatile of a sample of a genuine French cognac (40 vol% ethanol content)(3).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 165 workers (83 of these are female) are potentially exposed to acetal in the USA(1).

Acetal has been identified in one out of 12 human breath samples from subjects in New Jersey (nine people) and in North Carolina (3 people)(1).

3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB).

Hydrolysis in the stomach would give rise to either a hemiacetal or to acetaldehyde and ethyl alcohol.|ACETAL IS RAPIDLY HYDROLYZED IN THE STOMACH. THE RESULTING ACETALDEHYDE IS READILY OXIDIZED TO ACETIC ACID & EVENTUALLY TO CARBON DIOXIDE & WATER.

May irritate the upper respiratory tract. High concentrations act as a central nervous system depressant. Symptoms of exposure include headache, dizziness, drowsiness, abdominal pain, and nausea. (USCG, 1999)

INGESTION: Call a physician. Keep victim warm. EYES: Flush with running water for at least 15 minutes. SKIN: Remove contaminated clothing and shoes. Flush affected areas with plenty of water. Wash with soap and water. INHALATION: Move victim to fresh air. If breathing has stopped, give artificial respiration. If breathing is difficult, give oxygen. (USCG, 1999)

Fresh air, rest. Refer for medical attention.

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.

TESTED AT 10% IN PETROLATUM, ACETAL PRODUCED NO IRRITATION AFTER 48-HR CLOSED-PATCH TEST ON HUMAN SUBJECTS.|Moderately toxic and.../SRP: CNS depressive/ in high concn.

Acetal

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

Cough. Dizziness. Drowsiness. Headache. Nausea. Sore throat.

Redness.

Redness. Pain.

Grades: technical

Ethane, 1,1-diethoxy-: ACTIVE|ASSAY OF PURITY: 97% MINIMUM; FREE OF DISSOLVED METALS, CHLORIDES, SULFATES AND WATER. ... /IT IS/ PRESENT IN SOME LIQUORS (EG, SAKE AND WHISKY); ALSO DETECTED AND QUANT ASSESSED IN RUM. REPORTED USES: NON-ALCOHOLIC BEVERAGES, 7.3 PPM; ICE CREAM, ICES, ETC, 52 PPM; CANDY, 39 PPM; BAKED GOODS, 60-120 PPM.|Of several herbicides, acetal was the most effective, controlling witch-grass, Panicum capillare by 88%, and incr the yield of corn grain by 47%.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fire Hazards -> Flammable - 3rd degree

Flavoring Agents