Ethyl 4-hydroxy-3-methoxybenzoate

Basic Information

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CAS Number

617-05-0

Molecular Formula

C10H12O4

Molecular Weight

196.2 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

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Cryst.

Melting Point

42.0 to 48.0 deg-C

Boiling Point

293°C

Density

1.2166 (rough estimate)

Refractive Index

1.5430 (estimate)

SMILES

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CCOC(=O)c1ccc(c(c1)OC)O

InChI

InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3

InChIKey

MWAYRGBWOVHDDZ-UHFFFAOYSA-N

LogP

1.5774999999999997

Topological Polar Surface Area

55.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Ethyl 4-hydroxy-3-methoxybenzoate
Vanilic acid ethyl ester
Ethyl vanillate
Ethyl 4-hydroxy-3-methoxybenzoate~Vanillic acid ethyl ester
4-Hydroxy-3-methoxybenzoic acid ethyl ester
3-methoxy-4-hydroxybenzoic acid ethyl ester
3-methoxy-4-hydroxy-ethyl benzoate
Benzoic acid,4-hydroxy-3-methoxy-,ethyl ester
EINECS 210-503-9
ethyl-3-methoxy-4-hydroxybenzoate
VANILLIC ACID,ETHYL ESTER
Vanillic Acid Ethyl Ester
VANILLIC ACID, ETHYL ESTER
Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester
ethylvanillate
3-Methoxy-4-hydroxybenzoic acid, ethyl ester
m-Anisic acid, 4-hydroxy-, ethyl ester
V38JK4Z93O
MWAYRGBWOVHDDZ-UHFFFAOYSA-N
ethyl 4-hydroxy-3-methoxy-benzoate
Ethyl Vanilate
Vanillic acid ethyl
A
Ethyl Vanillate

MDL Number

MFCD00017269

Customs Code

2918990090

FAQ

What are the physical and chemical properties of Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0)?

Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0) is a crystalline compound with a molecular weight of approximately 214.23 g/mol. It has a high solubility in organic solvents such as ethanol and dichloromethane but is less soluble in water. The compound is relatively stable under normal conditions but can undergo hydrolysis in the presence of strong acids or bases. It is used in the synthesis of various pharmaceuticals and as a raw material in the production of fragrances.

How is Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0) typically synthesized?

Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0) is typically synthesized through the esterification of 4-hydroxy-3-methoxybenzoic acid with ethanol. The reaction is catalyzed by sulfuric acid or other strong acids, and the process involves heating to ensure high yield. The reaction is selective and yields a product with a purity of over 95%.

What industries use Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0)?

Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0) is primarily used in the pharmaceutical and fragrance industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and is also utilized in the production of fragrances and perfumes due to its pleasant aroma. It is also used in the food industry as a flavoring agent.

What precautions should be taken when handling Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0)?

When handling Ethyl 4-hydroxy-3-methoxybenzoate (CAS: 617-05-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a well-ventilated area, away from direct sunlight and heat sources. In case of a spill, it should be handled with care and cleaned up using appropriate methods. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.