b-Oxo-benzenebutanoic acid ethyl ester

b-Oxo-benzenebutanoic acid ethyl ester - Names and Identifiers

Name	Ethyl 3-oxo-4-phenylbutanoate
Synonyms	ethyl 3-oxo-4-phenylbutanoate Ethyl 3-oxo-4-phenylbutanoate ethyl 3-oxo-4-phenyl-butanoate b-Oxo-benzenebutanoic acid ethyl ester 3-OXO-4-PHENYL-BUTYRIC ACID ETHYL ESTER 4-Phenyl-3-oxobutanoic acid ethyl ester 3-keto-4-phenyl-butyric acid ethyl ester Benzenebutanoic acid, b-oxo-, ethyl ester Benzenebutanoic acid, β-oxo-, ethyl ester benzenebutanoic acid, beta-oxo-, ethyl ester
CAS	718-08-1
EINECS	226-500-0
InChI	InChI=1/C12H14O3/c1-2-15-12(14)9-11(13)8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

b-Oxo-benzenebutanoic acid ethyl ester - Physico-chemical Properties

Molecular Formula	C12H14O3
Molar Mass	206.24
Density	1.091
Boling Point	290℃
Flash Point	124℃
Solubility	Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly)
Vapor Presure	0.00209mmHg at 25°C
Appearance	Oil
Color	Colourless to Light Yellow
pKa	10.49±0.46(Predicted)
Storage Condition	Inert atmosphere,Room Temperature
Refractive Index	1.054-1.059

b-Oxo-benzenebutanoic acid ethyl ester - Risk and Safety

Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.

b-Oxo-benzenebutanoic acid ethyl ester - Introduction

Ethyl 3-oxo-4-phenylbutanoate, chemical formula C12H14O3, is an organic compound. It has the following properties:

1. Appearance: Ethyl 3-oxo-4-phenylbutanoate is a colorless to pale yellow liquid.
2. smell: with aromatic fruit flavor.
3. density: the density is about 1.07 g/cm.
4. Melting point: The melting point is about -7°C.
5. Boiling point: The boiling point is about 286°C.
6. Solubility: Soluble in general organic solvents, such as ethanol, ether and petroleum ether.

Ethyl 3-oxo-4-phenylbutanoate is commonly used in organic synthesis reactions and has the following main uses:

1. Drug synthesis: as an organic synthesis intermediate, it can be used to prepare drugs and bioactive molecules.
2. spices and flavor manufacturing: because of its aromatic fruit flavor, commonly used in the manufacture of perfume, flavor and spices.
3. cosmetics industry: can be used to produce a variety of cosmetics, skin care products and personal care products.
4. food additives: can be used in the food industry, as spices and flavors.

Ethyl 3-oxo-4-phenylbutanoate is generally prepared by esterification. Specific steps are as follows:

1. Acetophenone and ethyl acetate are heated to react under acidic conditions.
2. After the reaction, Ethyl 3-oxo-4-phenylbutyanoate with high purity is obtained by distillation and purification.

When using and handling Ethyl 3-oxo-4-phenylbutanoate, you need to pay attention to the following safety information:

1. avoid contact with skin and eyes, avoid inhaling its vapor.
2. in the operation to maintain good ventilation conditions.
3. Do not mix it with strong oxidants, strong acids or strong bases.
4. storage should be away from fire and high temperature, stored in a cool, ventilated place.
5. For accidental contact or ingestion, seek medical attention immediately and bring the packaging or label to the doctor.

When using Ethyl 3-oxo-4-phenylbutanoate, please follow the relevant safety procedures and take appropriate protective measures according to the specific situation.

Last Update：2024-04-09 21:21:28