Ethyl 3,5-dihydroxybenzoate

Basic Information

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CAS Number

4142-98-7

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

127-130 °C

Boiling Point

356.2°C at 760 mmHg

Flash Point

146.1°C

Refractive Index

1.573

SMILES

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

InChI

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

InChIKey

APHYVLPIZUVDTK-UHFFFAOYSA-N

LogP

1.2744999999999997

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

171

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

A825553
3,5-dihydroxy-benzoic acid ethyl ester
CHEMBL448695
MS-9823
Ethyl 3,5-dihydroxybenzoate, 97%
3,5-dihydroxy benzoic acid ethyl ester
SCHEMBL39026
Ethyl 3,5-dihydroxybenzoate
CS-0197219
[1,1'-Biphenyl]-4-methanamine, N,N-dimethyl-
MFCD00020122
3,5-dihydroxybenzoic acid ethyl ester
4142-98-7
HY-W131227
AKOS015889567
FT-0635150
Q27459840
APHYVLPIZUVDTK-UHFFFAOYSA-N
AC-14420
Benzoic acid, 3,5-dihydroxy-, ethyl ester
BDBM50428391
Ethyl-3,5-dihydroxy-benzoate
ethyl 3,5-dihydroxy benzoate
ethyl-3,5-dihydroxybenzoate
Benzoic acid,3,5-dihydroxy-, ethyl ester

MDL Number

MFCD01744651

Customs Code

2918290000

FAQ

What regulatory guidelines apply to Ethyl 3,5-dihydroxybenzoate (CAS: 4142-98-7)?

Ethyl 3,5-dihydroxybenzoate (CAS: 4142-98-7) is classified under GHS as a skin and eye irritant. Regulatory guidelines include compliance with REACH for registration and reporting of substances, as well as FDA and EPA regulations for food contact materials and environmental releases.

Are there alternatives to Ethyl 3,5-dihydroxybenzoate (CAS: 4142-98-7) in synthesis?

Alternatives to Ethyl 3,5-dihydroxybenzoate include other dihydroxybenzoic acid esters, such as methyl 3,5-dihydroxybenzoate. Isomers like 3,4-dihydroxybenzoic acid esters can also be considered, and reagents like sodium hydroxide or potassium hydroxide can be used as substitutes in synthesis processes.

What is the market or research trend for Ethyl 3,5-dihydroxybenzoate (CAS: 4142-98-7)?

The market for Ethyl 3,5-dihydroxybenzoate is growing due to its use in cosmetics and pharmaceuticals. Research trends include exploring its potential as a natural alternative in personal care products, with a focus on sustainability and biodegradability.

How should waste containing Ethyl 3,5-dihydroxybenzoate (CAS: 4142-98-7) be handled?

Waste containing Ethyl 3,5-dihydroxybenzoate should be collected in sealed containers, labeled appropriately, and disposed of through professional waste disposal services. Incineration is a common method, with proper environmental protection measures in place to ensure compliance with EPA regulations.