5-methyl-3-oxo-Hexanoic acid ethyl ester

5-methyl-3-oxo-Hexanoic acid ethyl ester - Names and Identifiers

Name	Ethyl 5-methyl-3-oxohexanoate
Synonyms	Ai3-05829 AI3-05829 Einecs 251-802-4 Ethyl 5-methyl-3-oxohexanoate Ethyl 3-oxo-5-Methylhexanoate ETHYL 5-METHYL-3-OXOHEXANOATE 3-Oxo-5-methylhexanoic acid ethyl ester 5-METHYL-3-OXO-HEXANOIC ACID ETHYL ESTER 5-methyl-3-oxo-Hexanoic acid ethyl ester 3-isopropyl-3-oxo-butyric acid ethyl ester Hexanoic acid, 5-methyl-3-oxo-, ethyl ester
CAS	34036-16-3
EINECS	251-802-4
InChI	InChI=1/C9H16O3/c1-4-12-9(11)6-8(10)5-7(2)3/h7H,4-6H2,1-3H3

5-methyl-3-oxo-Hexanoic acid ethyl ester - Physico-chemical Properties

Molecular Formula	C9H16O3
Molar Mass	172.22
Density	0.967±0.06 g/cm3(Predicted)
Boling Point	99.5 °C(Press: 12.5 Torr)
Flash Point	82.4°C
Vapor Presure	0.167mmHg at 25°C
pKa	10.42±0.46(Predicted)
Storage Condition	2-8°C
Refractive Index	1.424

5-methyl-3-oxo-Hexanoic acid ethyl ester - Introduction

Ethyl 5-methyl-3-oxohexanoate(Ethyl 5-methyl-3-oxohexanoate) is an organic compound with the chemical formula C9H16O3. The following is a description of its nature, use, preparation and safety information:

Nature:
-Appearance: Ethyl 5-methyl-3-oxohexanoate is a colorless to pale yellow liquid.
-Smell: It has a sweet fruit smell.
-Boiling point: about 220-225 degrees Celsius.
-Density: about 0.97g/cm³.
-Solubility: Soluble with ethanol, ether and organic solvents.

Use:
Ethyl 5-methyl-3-oxohexanoate is often used as a synthetic intermediate for spices and food additives. It is also useful in the preparation of organic synthetic compounds and pharmaceuticals.

Preparation Method:
Ethyl 5-methyl-3-oxohexanoate can be synthesized by the following steps:
1. Reaction of n-hexane ketone (methyl isobutyl ketone) with ethanol to prepare ethyl hexanoyl acetate (ethyl hexanoate).
2. Add tin dioxide and oxygen to ethyl hexanoyl acetate to carry out catalytic oxidation reaction to obtain Ethyl 5-methyll-3-oxohexexanoate.

Safety Information:
Ethyl 5-methyl-3-oxohexanoate is a chemical substance. The following safety precautions should be paid attention to during use and operation:
-Need to operate in a well-ventilated place, avoid inhaling its vapor or gas.
-Avoid contact with skin and eyes, and wear appropriate personal protective equipment, such as lab gloves and safety glasses.
-In case of contact with skin or eyes, rinse immediately with plenty of water and seek medical attention.
-It should be stored away from ignition and oxidizing agents to avoid contact with combustible substances.
-Disposal of waste in accordance with proper waste management practices.

Before using Ethyl 5-methyll-3-oxohexanoate, the product manual and safety data sheet should also be carefully read to ensure the safe use of the compound. If there is any doubt or uncertainty, please consult a professional.

Last Update：2024-04-09 19:05:49