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Dimethyl acetal

Dimethyl acetal structure

Dimethyl acetal 

structure
  • CAS No:

    534-15-6

  • Formula:

    C4H10O2

  • Chemical Name:

    Dimethyl acetal

  • Synonyms:

    Ethane,1,1-dimethoxy-;Acetaldehyde,dimethyl acetal;1,1-Dimethoxyethane;Dimethyl acetal;Ethylidene dimethyl ether;Acetaldehyde methyl acetal;3-Methyl-2,4-dioxapentane

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

clear colorless liquid 1,1-Dimethoxybenzene has a sharp, sweet, alcohol, ether, green, new-mown-hay odor


1,1-dimethoxyethane appears as a liquid with a sharp odor. Less dense than water. Mildly toxic by ingestion and inhalation. Severely irritates the skin and eyes. Used to make other chemicals.|Liquid|volatile colourless liquid with a sharp, green, ethereal odour


1,1-dimethoxyethane appears as a liquid with a sharp odor. Less dense than water. Mildly toxic by ingestion and inhalation. Severely irritates the skin and eyes. Used to make other chemicals.|1,1-Dimethoxyethane is an acetal.

Dimethyl acetal Basic Attributes

90.12

90.12

1697039

208-589-8

ZO2AW8UR5T

2377

DTXSID7027178

COLORLESS LIQ|MOBILE LIQ

2911000000

Characteristics

18.5

0.62520

1,1-dimethoxyethane appears as a liquid with a sharp odor. Less dense than water. Mildly toxic by ingestion and inhalation. Severely irritates the skin and eyes. Used to make other chemicals.

0.85015 g/cm3 @ Temp: 20 °C

-113.2 °C

64.5 °C

1 °F

n20/D 1.367(lit.)

H2O: soluble

Flammables area

200 hPa (20 °C)

3.1 (vs air)

Oral-Rat LD50: 6500 mg/kg; Inhalation-Rat LC50: 3000 PPM/ 4 hours

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

STRONGLY AROMATIC ODOR

FRUITY TASTE

8.89e-12 cm3/molecule*sec

VAPOR PRESSURE = 61 MM HG @ 20 °C

Highly flammable. May form unstable peroxides when exposed to oxygen. These products can sometimes be observed as clear crystals deposited on containers or along the surface of the liquid. Slightly soluble in water.

Ethers

Highly Flammable

1,1-DIMETHOXYETHANE may react violently with strong oxidizing agents. Can act as a weak base to form salts with strong acids and addition complexes with Lewis acids. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert.

1,1-Dimethoxyethane|D: Other compounds that may form peroxides|Kelly

Safety Information

II

3

UN 2377 3/PG 2

2

11

9-16-33

AB2825000

F

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

P210

H225

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.

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: 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. (ERG, 2016)|Flammable - 3rd degree

|Danger|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 1460 companies from 2 notifications to the ECHA C&L Inventory.

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)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)|Personnel protection: ... Wear positive pressure self-contained breathing apparatus. ... Wear appropriate chemical protective gloves, boots and goggles.

FLAMMABLE, DANGEROUS FIRE RISK.

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 be ineffective. Use "alcohol" foam, dry chemical or carbon dioxide. Cool all affected containers with flooding quantities of water. Do not extinguish fire unless flow can be stopped. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources.|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 knock-down vapors.|Personnel protection: Avoid breathing vapors. Keep upwind. ... Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amount of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing.|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 1,1-DIMETHOXYETHANE (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.

Toxicity

practically nontoxic

LD50 Rat oral 6.5 g/kg /From table/|LD50 Rabbit oral 4.5 g/kg /From table/|LC50 Rat inhalation 3,000 ppm for 4 hr /From table/|LD50 Rat skin 20 g/kg /From table/

IN RASPBERRY AND BLACKBERRY, STRAWBERRY, HOP OIL, COFFEE, TEA.

1,1-Dimethoxyethane's production and use in medicine(1), organic synthesis(1), in Mering's mixture (2 vol 1,1-dimethoxyethane and 1 vol chloroform)(2), and as a flavoring ingredient(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 1(SRC), determined from a structure estimation method(2), indicates that 1,1-dimethoxyethane will have very high mobility in soil(SRC). Volatilization of 1,1-dimethoxyethane may be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 6.7X10-5 atm-cu m/mole(3,SRC), and from dry soil surfaces(SRC), based on an experimental vapor pressure of 171 mm Hg(4). According to one study, 1,1-dimethoxyethane shows a slight ability to support growth for an organism isolated from soil enriched with triethylene glycol(5).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 1(SRC), determined from a structure estimation method(2), indicates that 1,1-dimethoxyethane would not adsorb to suspended solids and sediment(SRC) in the water. 1,1-Dimethoxyethane would volatilize from water surfaces based on an estimated Henry's Law constant of 6.7X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). Estimated half-lives for a model river and model lake are 15 hours and 7.5 days, respectively(4,SRC). An estimated BCF value of 0.86(4,SRC), from an estimated log Kow(5,SRC), suggests that 1,1-dimethoxyethane will not bioconcentrate in aquatic organisms(SRC) according to a recommended classification scheme(6). According to one study, 1,1-dimethoxyethane shows a slight ability to support growth for an organism isolated from soil enriched with trietylene glycol(7).|ATMOSPHERIC FATE: According to a suggested classification scheme(1), an experimental vapor pressure of 171 mm Hg at 25 °C(2) indicates that 1,1-dimethoxyethane will exist in the vapor phase in the ambient atmosphere. Vapor-phase 1,1-dimethoxyethane 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 43 hours(3,SRC). Vapor-phase 1,1-dimethoxyethane may be physically removed from the air by wet deposition because of its high water solubilty(4).

The rate constant for the vapor-phase reaction of 1,1-dimethoxyethane with photochemically produced hydroxyl radicals has been experimentally determined to be 8.89X10-12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 43 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC).

An estimated BCF value of 0.86 was calculated for 1,1-dimethoxyethane(SRC), using an estimated log Kow of 0.22(1,SRC) 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 an low(SRC).

Using a structure estimation method based on molecular connectivity indexes(1), the Koc for 1,1-dimethoxyethane can be estimated to be about 1(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that 1,1-dimethoxyethane has very high mobility in soil(SRC).

The Henry's Law constant for 1,1-dimethoxyethane is estimated as 6.7X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that 1,1-dimethoxyethane will volatilize from water surfaces(2,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 15 hours(2,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 7.5 days(2,SRC). 1,1-Dimethoxyethane's high vapor pressure, 171 mm Hg(3) indicates that volatilization from dry soil may occur(SRC). 1,1-Dimethoxyethane's Henry's Law constant(1,SRC) indicates that volatilization from moist soil may also occur(SRC).

1,1-Dimethoxyethane was identified as a volatile component of beef(1).

Drug Information

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: 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. (ERG, 2016)

Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. (ERG, 2016)

MODERATELY TOXIC BY INGESTION AND INHALATION.

1,1-dimethoxyethane

Dimethyl acetal Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction of methanol and acetaldehyde under the action of concentrated sulfuric acid. It can also be obtained by reacting methanol with acetylene or methanol with ethylene.

Uses

As Mering's mixture which is 2 vol dimethylacetal and 1 vol chloroform.

Production

(1977) AT LEAST 4.54X10+8 G|(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

AS MERING'S MIXTURE WHICH IS 2 VOL DIMETHYLACETAL AND 1 VOL CHLOROFORM

Ethane, 1,1-dimethoxy-: ACTIVE|NON-ALCOHOLIC BEVERAGES, ICE CREAM, ICES, GELATINS AND PUDDINGS, JELLIES, PRESERVES, SPREADS 3.0 PPM; CANDY, BAKED GOODS 6.0 PPM|A SYNTHETIC FLAVOR SUBSTANCE RESEMBLING FRUIT FLAVORS.

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

Flavoring Agents

Computed Properties

Molecular Weight:90.12
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:90.068079557
Monoisotopic Mass:90.068079557
Topological Polar Surface Area:18.5
Heavy Atom Count:6
Complexity:24.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

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