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Cas Database

77-76-9

77-76-9

Identification

  • Product Name:2,2-Dimethoxypropane

  • CAS Number: 77-76-9

  • EINECS:201-056-0

  • Molecular Weight:104.149

  • Molecular Formula: C5H12O2

  • HS Code:29110000

  • Mol File:77-76-9.mol

Synonyms:Acetone,dimethyl acetal (6CI,8CI);2,2-Bis(methyloxy)propane;Acetone dimethyl ketal;NSC 62085;

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Safety information and MSDS view more

  • Pictogram(s):FlammableF,IrritantXi

  • Hazard Codes:F,Xi

  • Signal Word:Danger

  • Hazard Statement:H225 Highly flammable liquid and vapourH315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. 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). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. 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. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
  • Product Description:2,2-Dimethoxypropane
  • Packaging:10g
  • Price:$ 140
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  • Manufacture/Brand:TCI Chemical
  • Product Description:2,2-Dimethoxypropane >98.0%(GC)
  • Packaging:500mL
  • Price:$ 21
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  • Manufacture/Brand:TCI Chemical
  • Product Description:2,2-Dimethoxypropane >98.0%(GC)
  • Packaging:25mL
  • Price:$ 14
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2,2-Dimethoxypropane 98%
  • Packaging:100 mL
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2,2-Dimethoxypropane 98%
  • Packaging:50 mL
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,2-Dimethoxypropane reagent grade, 98%
  • Packaging:18l
  • Price:$ 757
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,2-Dimethoxypropane for synthesis. CAS 77-76-9, molar mass 104.15 g/mol., for synthesis
  • Packaging:8029360500
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,2-Dimethoxypropane reagent grade, 98%
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,2-Dimethoxypropane for synthesis
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  • Manufacture/Brand:Sigma-Aldrich
  • Product Description:2,2-Dimethoxypropane analytical standard
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Relevant articles and documentsAll total 41 Articles be found

Pressure Stabilization and Solvation Thermodynamics of a Hemiketal Reaction Intermediate

Gift, Alan D.,Ben-Amotz, Dor

, p. 11459 - 11462 (2000)

This work reports the first pressure stabilization of a hemiketal intermediate, 2-methoxy-2 propanol, formed in the reaction of acetone and methanol, observed using Raman spectroscopy. Acetone dissolved in methanol is found to undergo a two-step reaction, with the ketal 2,2-dimethoxy-propane as the final product and the hemiketal observed as an intermediate. In a more dilute stoichiometric mixture of acetone and methanol in liquid tetrahydrofuran (THF), quantitative formation of the hemiketal is observed at pressures above 2 GPa. The complete set of reaction thermodynamic functions (ΔH0, ΔV0, ΔS0, ΔG0, ΔU0, ΔA0) is obtained for the hemiketal formation reaction in THF as a function of temperature and pressure and compared with previous measurements of ΔH0, ΔS0, and ΔG0 for acetone dissolved in methanol. Comparisons with quantum calculations for the isolated reactant and product species are used to completely quantitate the effects of solvation on the hemiketal formation reaction.

On the origin of nitrogen-containing promoters in the cobalt-catalyzed methoxycarbonylation of epoxides

He, Jianghua,He, Lin,Li, Zhen,Liu, Jianhua,Liu, Mengli,Wang, Fang,Xia, Chungu,Yun, Dong,Zeng, Bo

, (2021/07/26)

The detailed promotion mechanism of nitrogenous compounds in the cobalt-catalyzed methoxycarbonylation of epoxides has not been studied to date. Herein, we present the intrinsic correlation between nitrogenous promoters and activity and selectivity in the alkoxycarbonylation of epoxides by a comprehensive in situ IR spectroscopy and DFT studies. In situ IR spectroscopy confirmed the acid-base neutralization of the nitrogenous promoters and HCo(CO)4, resulting in reduction of the acidity of the catalyst. With the reduced acid-derived activity for formation of ethers as by-products, the selectivity of desired esters was increased. DFT calculations showed that a nitrogenous base could facilitate the methanolysis of cobalt-acyl species with lowered activation energy, which is considered to be the rate-determining step in the catalytic cycle. As a result, the reaction activity towards carbonylation was also improved by nitrogenous promoters. The present studies will provide new insights to the long-term confusing problems in epoxides carbonylation.

Preparation method of 2, 2-dimethoxypropane

-

Paragraph 0026; 0027; 0028; 0029; 0030; 0031; 0032, (2019/01/24)

The invention discloses a preparation method of 2, 2-dimethoxypropane. The method adopts methanol and acetone as the raw materials, utilizes a metal oxide modified SO4/SnO2 catalyst to catalyze reaction, and includes the reaction steps of: a) subjecting methanol and acetone to preheating vaporization by a preheater respectively, and controlling the preheating temperature at 65-95DEG C; b) letting the vaporized methanol and acetone enter the reactor respectively, and contacting the vaporized methanol and acetone with the metal oxide modified SO4/SnO2 catalyst for catalytic reaction in the reactor at a temperature of 83-95DEG C so as to obtain a crude product containing 2, 2-dimethoxypropane and unreacted methanol and acetone. Specifically, the metal oxide is one of or a mixture of several of Fe2O3, Al2O3 and Ga2O3. The method adopted by the invention is carried out at high temperature, solves the problem of long reaction time at low temperature, has high single conversion rate,and does not introduce new impurities are introduced in the subsequent concentration process.

Method for preparing 2,2-dimethoxy propane

-

Paragraph 0032; 0034; 0035; 0036; 0037; 0039-0041, (2019/04/02)

The invention relates to a method for preparing 2,2-dimethoxy propane. The method comprises the following steps: co-boiling methanol and acetone in a multi-tower serial connected tower type reactor tocarry out a condensation reaction, controlling the reaction pressure of the tower type reactor at 700Pa to 2.0KPa and a tower kettle reaction temperature at 2-18 DEG C, collecting generated azeotropefrom a tower top, and separating, so as to obtain 2,2-dimethoxy propane. By adopting the method, synthesis and separation of the 2,2-dimethoxy propane are simultaneously carried out in the tower typereactor, and complex aftertreatment of products can be avoided.

2,2-dimethoxypropane production method

-

Paragraph 0024-0037, (2019/10/23)

The invention discloses a 2,2-dimethoxypropane production method. Methanol and acetone are used as raw materials, strong acid cation exchange resin serves as a catalyst, super absorbent resin serves as a dehydrating agent, and a product is obtained through reduced pressure rectification. The super absorbent resin can be recycled after hot air drying, and a mixture of a small quantity of methanol,acetone and 2,2-dimethoxypropane and water after drying can be separated through pressurized condensation, the separated water can be discharged directly, and the separated mixture of methanol, acetone and 2,2-dimethoxypropane are returned to a fixed bed reactor to continue to participate in reaction. The method is simple in process, high in continuity and low in cost, the total yield of productsis high and is greater than 65%, high quality is achieved while the purity is higher than 99%, and a high industrial application value is achieved.

A 2, 2 - dimethoxy propane preparation method (by machine translation)

-

Paragraph 0014; 0016; 0017; 0019; 0020; 0022; 0025, (2019/01/08)

The invention discloses 2, 2 - dimethoxy propane synthesis in the technical field of a 2, 2 - dimethoxy propane preparation method, this invention adopts the indirect method for the preparation of 2, 2 - dimethoxy propane, step (1) the propylene glycol and acetone reaction, to produce 2, 2, 4 - trimethyl - 1, 3 dioxolane, in order to water-free ferric sulfate as a catalyst, not only high catalytic efficiency, and insoluble in the reaction system, as compared with the other soluble strong catalyst, its reaction is apt to separation, the reaction operation is simplified, and can be recycled, petroleum ether as a sub-agent, through the return water diversion, the water generated by the reaction out of the system the outer, right to in order to facilitate the reaction, the reaction is more fully, at the same time shorten the reaction time, step (2) adopting the step (1) product 2, 2, 4 - trimethyl - 1, 3 dioxolane and methanol reaction, the preparation of 2, 2 - dimethoxy propane, in order to water-free three-aluminum chloride as the catalyst, catalytic effect, and finally to the preparations 2, 2 - dimethoxy propane and higher yield at the same time the preparation time is short. (by machine translation)

Process route upstream and downstream products

Process route

methanol
67-56-1

methanol

5-t-Butylperoxycyclo-octene

5-t-Butylperoxycyclo-octene

t-butyl bromide
507-19-7

t-butyl bromide

trans-2-bromo-9-oxabicyclo<4.2.1>nonane
32654-19-6,89071-84-1,92617-21-5

trans-2-bromo-9-oxabicyclo<4.2.1>nonane

trans-2-bromo-9-oxabicyclo<3.3.1>nonane
32654-27-6,89071-85-2,92617-22-6

trans-2-bromo-9-oxabicyclo<3.3.1>nonane

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With N-Bromosuccinimide; for 0.75h; Product distribution; Mechanism; further in CD3OD;
74%
1.5%
t-butyl heptafluoroperoxybutyrate
91481-65-1

t-butyl heptafluoroperoxybutyrate

heptafluorobutyric Acid
375-22-4

heptafluorobutyric Acid

2-Methoxypropene
116-11-0

2-Methoxypropene

tert-butyl heptafluorobutyrate
425-24-1

tert-butyl heptafluorobutyrate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

1-methoxy-1-methylethyl heptafluorobutyrate

1-methoxy-1-methylethyl heptafluorobutyrate

Conditions
Conditions Yield
In nitrobenzene; at 70 ℃; for 7h; Product distribution;
0.19 % Turnov.
0.06 % Turnov.
0.02 % Turnov.
0.05 % Turnov.
0.90 % Turnov.
methanol
67-56-1

methanol

t-butyl heptafluoroperoxybutyrate
91481-65-1

t-butyl heptafluoroperoxybutyrate

tert.-butylhydroperoxide
75-91-2

tert.-butylhydroperoxide

methyl heptafluorobutyrate
356-24-1

methyl heptafluorobutyrate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
at 40 ℃; for 3h; Yield given. Yields of byproduct given;
In methanol; at 10 - 40 ℃; for 3h; Rate constant; Kinetics; Thermodynamic data; ΔH(act.), ΔS(act.), various temperature;
acetone
67-64-1

acetone

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 0.25h; Green chemistry;
95%
acetone
67-64-1

acetone

trimethyl orthoformate
149-73-5

trimethyl orthoformate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With ammonium nitrite; In methanol; for 8h; Heating;
With sulfuric acid; In methanol; at 20 ℃;
With sodium montmorillonite; In neat (no solvent); at 60 ℃; for 0.25h; Microwave irradiation; Green chemistry;
With toluene-4-sulfonic acid; In methanol; Reflux; Molecular sieve;
2,2,4-trimethyl-1,3-dioxolane
1193-11-9,116944-25-3

2,2,4-trimethyl-1,3-dioxolane

methanol
67-56-1

methanol

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With aluminum (III) chloride; at 70 ℃; for 5.6h; Temperature;
91%
methanol
67-56-1

methanol

acetone
67-64-1

acetone

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With formylmorpholine-dimethylsulfate-adduct; for 24h; Ambient temperature;
52.9%
With formylmorpholine-dimethylsulfate-adduct; for 24h; Product distribution; Ambient temperature; var. other 1-dialkylamino-1-methoxycarbenium methyl sulfates; var. carbonyl compounds; rate of dimethyl ketal formation;
52.9%
AMBERLYST A 15; AMBERLITE IRA 96; at -36 - -34 ℃; Neat liquid(s);
44.9%
With poly(tetrakis(4-ethynylphenyl)methane); at 60 ℃; for 7h; Reagent/catalyst; Time; Catalytic behavior;
40%
at 300 ℃; for 1h; under 112509 Torr;
9%
at -27 ℃; In Gegenwart eines Ionen-Austauschers;
Pd561(penanthroline)60(OAc)180; at 25 ℃; Rate constant; other catalyst ( Pd561(phenanthroline)60O60(PF6)60 );
With acid ion exchange resin AMBERLYST A 15; at -50 - -45 ℃; under 3000.3 Torr;
With acid ion exchange resin AMBERLYST A 15; at -66 - -64 ℃; under 3000.3 Torr;
With N,N,N-trimethyl-N-(butanesulfonic acid)ammonium hydrogensulfate; at -50 ℃; for 0.5h; Reagent/catalyst; Temperature;
59.8 %Spectr.
With tetramethylorthosilicate; In hexane; at 10 ℃; for 5h; Reagent/catalyst; Temperature; Solvent;
With melamine-porous organic polymer; at 10 ℃; for 2h;
With aluminum oxide; at 85 - 95 ℃; Reagent/catalyst;
2438 g
at 2 - 18 ℃; under 5.25053 - 15.0015 Torr; Temperature; Pressure;
With Nankai D72; at 15 ℃; Temperature; Reagent/catalyst;
methanol
67-56-1

methanol

prop-1-yne
74-99-7

prop-1-yne

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; mercury(II) oxide;
With methyl(triphenylphosphine)gold(I); methanesulfonic acid; at 40 ℃;
2,2-dimethyl-1,3-dioxolane
2916-31-6

2,2-dimethyl-1,3-dioxolane

Cu(CF3SO3)2

Cu(CF3SO3)2

Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
50.31%
2,2-dimethyl-1,3-dioxolane
2916-31-6

2,2-dimethyl-1,3-dioxolane

Cu(CF3 SO3)2

Cu(CF3 SO3)2

Trimethyl borate
121-43-7,63156-11-6

Trimethyl borate

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

Conditions
Conditions Yield
50.31%

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