Ethyl 3,3-diethoxypropanoate

Basic Information

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CAS Number

10601-80-6

Molecular Formula

C9H18O4

Molecular Weight

190.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

86°C/12mmHg

Refractive Index

n20/D 1.411(lit.)

SMILES

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CCOC(CC(=O)OCC)OCC

InChI

InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3

InChIKey

SIALOQYKFQEKOG-UHFFFAOYSA-N

LogP

1.3387000000000002

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

130

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

NSC83149
Ethyl 3,3-diethoxypropionate, 90%, technical grade
ethyl 3,3-diethoxy-propanoate
NSC 83149
NSC-83149
ethyl 3.3-diethoxypropanoate
DTXSID70147476
AC-1404
EINECS 234-223-1
AS-11094
ethyl 3,3-diethoxy-propionate
SY001043
beta,beta-diethoxypropionic acid ethyl ester
PB19867
SIALOQYKFQEKOG-UHFFFAOYSA-
NCIOpen2_001167
3,3-Diethoxypropionic Acid Ethyl Ester
ethyl 3,3-diethoxypropanoate;Ethyl 3,3-diethoxypropionate
EN300-43929
ETHYL3,3-DIETHOXYPROPIONATE
MFCD00009865
F0001-0131
NS00052076
BCP26807
Propanoic acid, 3,3-diethoxy-, ethyl ester
SCHEMBL204730
FT-0614051
W-108775
InChI=1/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3
AKOS005137982
Ethyl 3,3-diethoxypropanoate

MDL Number

MFCD00009865

Customs Code

2918990090

FAQ

What is Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6)?

Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) is an ester compound with the chemical formula C8H14O4. It is a colorless liquid known for its low solubility in water and high solubility in organic solvents. The molecule features two ethoxy groups attached to the central carbon of a propanoate chain, making it a versatile intermediate in organic synthesis. Its structure is commonly used in research and industrial applications for creating complex chemical derivatives.

What are the main uses of Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6)?

Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) is primarily used in pharmaceutical research as a building block for drug development. It also serves in organic chemistry for synthesizing esters and other functional compounds. Industrial applications include use as a solvent or raw material in specialty chemical production. Additionally, it may be employed in food science as a flavoring agent or in polymer synthesis for specific material properties.

Is Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) safe?

Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, such as avoiding inhalation, skin contact, and ingestion. Safety data sheets (SDS) recommend using protective gloves and goggles. While it is not classified as highly toxic, long-term exposure or improper storage may pose risks, so adherence to OSHA guidelines and laboratory safety protocols is essential.

How should Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) be stored?

Ethyl 3,3-diethoxypropanoate (CAS: 10601-80-6) should be stored in a cool, dark place at 2-8°C to maintain stability. It is sensitive to moisture and light, so a tightly sealed container made of glass or high-density polyethylene is recommended. Storage away from incompatible materials like strong oxidizers is crucial. Proper labeling and adherence to chemical storage standards ensure safety and prolong shelf life.