Ethyl 3,4-dihydroxybenzoate

Basic Information

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CAS Number

3943-89-3

Molecular Formula

C9H10O4

Molecular Weight

182.17 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

Melting Point

133.0 to 136.0 deg-C

Boiling Point

358.1°C at 760 mmHg

Water Solubility

Insoluble in water. Soluble in ethanol.

Flash Point

147℃

Refractive Index

1.4500 (estimate)

SMILES

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CCOC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3

InChIKey

KBPUBCVJHFXPOC-UHFFFAOYSA-N

LogP

1.2744999999999997

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

181

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3943-89-3
EDHB
Protocatechuic acid, ethyl ester
UNII-4YGJ96WTBG
AC-9614
Ethyl 3,4-dihydroxybenzoate (Protocatechuic acid ethyl ester)
CS-W017125
NSC 86130
3,4-Dihydroxybenzoic acid, ethyl ester
SR-01000944711-1
3,4-DHBEEOP
SCHEMBL39791
NSC86130
W-106433
Benzoic acid,4-dihydroxy-, ethyl ester
NSC619681
Ethyl 3,4-dihydroxybenzoate
A6602
NS00006102
3,4-Dihydroxybenzoic Acid Ethyl Ester
AMY40110
BDBM50428394
DTXCID3031521
EINECS 223-529-0
InChI=1/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H
HY-W016409
EC 223-529-0
BCP26356
Ethyl protocatechuate
SR-01000944711
PS-4053

MDL Number

MFCD00002199

Customs Code

2918290000

FAQ

What is Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3)?

Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) is an organic compound with the chemical formula C9H10O5. It is an ester derived from 3,4-dihydroxybenzoic acid and ethanol, featuring hydroxyl groups at the 3 and 4 positions of the benzene ring. This compound is commonly used as a precursor in pharmaceutical and industrial applications due to its stability and reactivity.

What are the main uses of Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3)?

Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) is primarily used in pharmaceuticals as a building block for salicylic acid derivatives, in the food industry as a preservative, and in research for drug development. It also serves as an intermediate in the synthesis of organic compounds and is applied in cosmetics and coatings due to its antioxidant properties.

Is Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) safe?

Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) is generally considered safe when handled properly. However, it may cause mild skin or eye irritation. Safety precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. It is not classified as highly toxic but should comply with OSHA and EPA guidelines for chemical handling to minimize risks.

How should Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) be stored?

Ethyl 3,4-dihydroxybenzoate (CAS: 3943-89-3) should be stored in a sealed container in a cool, dry place (15-25°C) away from light and moisture. It is stable under these conditions but should be kept in a well-ventilated area to prevent exposure to air. Avoid extreme temperatures and humidity to maintain its chemical integrity.