Ethyl 3,4,5-trihydroxybenzoate

Basic Information

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CAS Number

831-61-8

Molecular Formula

C9H10O5

Molecular Weight

198.17 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

Physical State

Powder

Melting Point

151.0 to 155.0 deg-C

Boiling Point

255.48°C (rough estimate)

Density

1.2539 (rough estimate)

Flash Point

185 °C

Solubility

7.439e+004 mg/L @ 25 °C (est)

Refractive Index

1.4570 (estimate)

SMILES

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CCOC(=O)c1cc(O)c(O)c(O)c1

InChI

InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

InChIKey

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

LogP

0.9800999999999997

Topological Polar Surface Area

86.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

Ethyl 3,4,5-trihydroxybenzoate
3,4,5-Trihydroxybenzoic acid ethyl ester
Gallic acid ethyl ester
Ethyl gallate
Ethyl Gallate [for Determination of Total Polyphenol Content]
Ethyl Gallate(Ethyl 3,4,5-Trihydroxybenzoate)
ETHYLGALLATE(RG)
3,4,5-trihydroxyethylbenzoate
Gallic acid ethyl
N-ETHYLGALLATE
Nipa No. 48
nipa48
nipagallina
Phyllemblin
Progallin A
[ "" ]
Nipagallin A
Ethylgallate
Benzoic acid, 3,4,5-trihydroxy-, ethyl ester
Gallic acid, ethyl ester
NIPA 48
Ethyl-3,4,5-trihydroxybenzoate
Ethylester kyseliny gallove
Ethylester kyseliny gallove [Czech]
235I6UDD3L
VFPFQHQNJCMNBZ-UHFFFAOYSA-N
NSC402626
Gallic Acid Ethyl Ester
Gallic acid, ethyl ester (6CI,8CI),Phyllemblin (7CI),Progallin A,Nipa No. 48,Nipagallin A

MDL Number

MFCD00016430

Customs Code

2918290000

FAQ

What is Ethyl 3,4,5-trihydroxybenzoate (CAS: 831-61-8)?

Ethyl 3,4,5-trihydroxybenzoate is a chemical compound with the CAS number 831-61-8. It is an ester derived from 3,4,5-trihydroxybenzoic acid and ethanol. This compound is characterized by its aromatic structure and hydroxyl groups, which contribute to its solubility and reactivity. It is commonly used in various industrial and research applications due to its versatile chemical properties.

What are the main uses of Ethyl 3,4,5-trihydroxybenzoate (CAS: 831-61-8)?

Ethyl 3,4,5-trihydroxybenzoate is widely used in pharmaceuticals as a stabilizer and preservative. It also finds applications in the food industry for its antioxidant properties and in research for its role in chemical synthesis. Additionally, it is utilized in cosmetic and fragrance formulations due to its ability to enhance product stability and performance.

Is Ethyl 3,4,5-trihydroxybenzoate (CAS: 831-61-8) safe?

Ethyl 3,4,5-trihydroxybenzoate is generally considered safe when used in accordance with recommended guidelines. However, it should be handled with care, as it may cause skin or eye irritation. Safety standards recommend proper ventilation, protective gloves, and goggles during handling. It is important to follow safety data sheets (SDS) for specific precautionary measures and exposure limits.

How should Ethyl 3,4,5-trihydroxybenzoate (CAS: 831-61-8) be stored?

Ethyl 3,4,5-trihydroxybenzoate should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container, away from moisture and strong light sources. Storage at temperatures below 25°C is ideal, and it should be kept in a well-ventilated area to prevent any potential buildup of volatile components.