Ethyl 3-oxopentanoate

Basic Information

View in Editor

CAS Number

4949-44-4

Molecular Formula

C7H12O3

Molecular Weight

144.17 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

191°C

Solubility

Miscible with glacial acetic acid.

Refractive Index

n20/D 1.422(lit.)

SMILES

View in Editor

CCC(=O)CC(=O)OCC

InChI

InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3-5H2,1-2H3

InChIKey

UDRCONFHWYGWFI-UHFFFAOYSA-N

LogP

0.9187000000000001

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Sensitiveness

thermally sensitive

Synonyms & References

English

ethyl-3-oxopentanoate
P45XZ5RD8B
AKOS005255091
ACETICACID, 2-(2-PROPEN-1-YLOXY)-, ETHYL ESTER
Ethyl 3-oxopentanoate
alpha-methylacetylacetic acid ethyl ester
NSC-7251
Z839817064
NSC7251
MFCD00009317
EN300-81762
Ethyl Propanoylacetate
3-Ketovaleric Acid Ethyl Ester
Valeric acid, 3-oxo-, ethyl ester
SY008856
ethyl propanylacetate
CS-W019881
F8889-9376
FT-0615940
3-Oxopentanoic acid ethyl ester
HY-78211
K0031
3-Oxovaleric Acid Ethyl Ester
3-oxo-pentanoic acid ethyl ester
Ethyl propionylacetate
Ethyl propionylacetate, 97%
NS00031904
Aceticacid,2-(2-propen-1-yloxy)-,ethyl ester
Pentanoic acid, 3-oxo-, ethyl ester
AI3-30964
SCHEMBL181997

MDL Number

MFCD00009317

Customs Code

29183000

FAQ

What is Ethyl 3-oxopentanoate (CAS: 4949-44-4)?

Ethyl 3-oxopentanoate is an organic compound with the chemical formula C6H10O3. It is a colorless liquid with a ketonic smell. This compound is used as an intermediate in the synthesis of other chemicals and in fragrance and flavor industries.

What are the main uses of Ethyl 3-oxopentanoate (CAS: 4949-44-4)?

Ethyl 3-oxopentanoate is primarily used as a starting material in the synthesis of various chemical compounds. It is also utilized in the fragrance and flavor industries for its scent. Additionally, it is employed in the pharmaceutical and industrial sectors for intermediate applications.

Is Ethyl 3-oxopentanoate (CAS: 4949-44-4) safe?

Ethyl 3-oxopentanoate is generally considered safe for industrial use, but it may cause irritation to the eyes, skin, and respiratory system if inhaled or contacted. Proper handling and personal protective equipment (PPE) such as gloves and goggles are recommended to prevent exposure. It is not considered a hazardous material under normal storage and use conditions.

How should Ethyl 3-oxopentanoate (CAS: 4949-44-4) be stored?

Ethyl 3-oxopentanoate should be stored in a cool, well-ventilated area away from direct sunlight and heat sources. It must be kept in a tightly sealed container to prevent evaporation and contamination. Store at room temperature and avoid exposure to temperatures above 30°C. Maintain containers in an upright position to prevent leakage. Keep away from incompatible materials like strong acids and oxidizers.