Ethyl 3-acetyl-4-oxopentanoate

Basic Information

View in Editor

CAS Number

18835-02-4

Molecular Formula

C9H14O4

Molecular Weight

186.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

165 ºC (53 Torr)

Flash Point

123.2±21.8 ºC,

SMILES

View in Editor

CCOC(=O)CC(C(=O)C)C(=O)C

InChI

InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3

InChIKey

NKGFIBABDQHCHZ-UHFFFAOYSA-N

LogP

0.7338000000000001

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

206

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

CS-0206366
EN300-12174
DTXCID3024863
LEVULINIC ACID, 3-ACETYL-, ETHYL ESTER
3-acetyl-4-oxo-pentanoic acid ethyl ester, AldrichCPR
18835-02-4
AKOS004115441
CAS-18835-02-4
4GJG1YUM53
AC4996
FT-0711183
SCHEMBL1194353
Ethyl 3-acetyl-4-oxopentanoate
ethyl3-acetyl-4-oxo-pentanoate
Tox21_301225
3,3-diacetyl-propionic acid-ethyl ester
AMY22706
Ethyl 3-acetyl-4-oxopentanoate #
3-acetyl-4-oxo-pentanoic acid ethyl ester
DTXSID5044863
ethyl 3-acetyl-4-oxo-valerate
ETHYL .BETA.',.BETA.-DIACETYLPROPIONATE
Pentanoic acid, 3-acetyl-4-oxo-, ethyl ester
CHEMBL3560165
SY021063
Ethyl 3-acetyllevulinate
ethyl 3-acetyl-4-oxo-pentanoate
3-acetyl-4-oxopentanoic acid ethyl ester
ethyl-3-acetyl-4-oxopentanoate
UNII-4GJG1YUM53
VS-09858

MDL Number

MFCD06384307

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4)?

Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4) is a white crystalline solid with a molecular weight of approximately 180.25 g/mol. It is slightly soluble in water but miscible with most organic solvents. The compound is relatively stable under normal conditions but can react with strong bases to form the corresponding salt. It is used as an intermediate in organic synthesis and pharmaceuticals.

How is Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4) typically synthesized?

Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4) is typically synthesized via the condensation of acetylacetone and ethyl acetoacetate. The reaction is carried out under mild conditions with a yield of around 85%. The use of a small amount of a catalyst such as a Lewis acid can improve the selectivity and yield of the product.

What industries use Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4)?

Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the production of certain polymers and in the semiconductor industry for electronic applications.

What precautions should be taken when handling Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4)?

When handling Ethyl 3-acetyl-4-oxopentanoate (CAS: 18835-02-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves, protective goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully, using appropriate absorbent materials, and the area should be thoroughly ventilated. Always consult the SDS for detailed safety information.