2,2-Diethoxypropane

Basic Information

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CAS Number

126-84-1

Molecular Formula

C7H16O2

Molecular Weight

132.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

113°C

Refractive Index

n20/D 1.389(lit.)

SMILES

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CCOC(C)(C)OCC

InChI

InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3

InChIKey

FGQLGYBGTRHODR-UHFFFAOYSA-N

LogP

1.7955

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

61.3

Safety Information

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GHS Hazard Pictograms

H225

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.1 Class 3.1

Synonyms & References

English

EINECS 204-808-6
NSC 528014
D0459
NS00024043
D89659
18I1QHH2K2
NSC528014
W-108393
126-84-1
SCHEMBL590700
DIETHOXYPROPANE
2,2-Diethoxypropane, 97%
acetone diethylacetal
2,2-DIETHOXYPROPANE
Acetone diethyl ketal
MFCD00009224
Acetone diethyl acetal
UNII-18I1QHH2K2
Propane,2-diethoxy-
WLN: 2OX1 & 1 & O2
Propane, 2,2-diethoxy-
BRN 0741878
Q27252003
InChI=1/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3
2,2-diethoxy-propane
USAF DO-44
Acetone, diethyl acetal
AKOS015903661
DTXSID2059568
NSC-528014
FT-0631738

MDL Number

MFCD00009224

Customs Code

29110000

FAQ

What are the physical and chemical properties of 2,2-Diethoxypropane (CAS: 126-84-1)?

2,2-Diethoxypropane (CAS: 126-84-1) is a colorless, flammable liquid with a sweet odor. It has a molecular weight of 142.21 g/mol and a boiling point of 107°C. The compound is moderately soluble in water but miscible with most organic solvents. It is reactive towards strong bases and acids, and it can undergo dehydration under acidic conditions to form acetylacetone.

How is 2,2-Diethoxypropane (CAS: 126-84-1) typically synthesized?

2,2-Diethoxypropane (CAS: 126-84-1) is commonly synthesized by the reaction of propionaldehyde with diethyl oxalate. This process is catalyzed by a strong acid like sulfuric acid. The yield is typically around 80-90%, and the reaction is carried out at room temperature. The selectivity is high, and by-products are minimal.

What industries use 2,2-Diethoxypropane (CAS: 126-84-1)?

2,2-Diethoxypropane (CAS: 126-84-1) is used in various industries, including pharmaceuticals, where it serves as a solvent and intermediate in the synthesis of drugs. It is also used in the polymer industry for the production of polyurethanes and epoxy resins. Additionally, it finds applications in the manufacturing of sensors, semiconductors, and as a reagent in organic synthesis.

What precautions should be taken when handling 2,2-Diethoxypropane (CAS: 126-84-1)?

When handling 2,2-Diethoxypropane (CAS: 126-84-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, well-ventilated area away from heat sources and oxidizers. Spills should be contained and cleaned up using appropriate absorbents. Always refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.