[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid

Basic Information

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CAS Number

99469-99-5

Molecular Formula

C13H16O5

Molecular Weight

252.27 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

78.0 to 82.0 deg-C

Boiling Point

414.8°C at 760 mmHg

Density

1.191

Flash Point

155.9℃

Refractive Index

1.5

SMILES

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CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC

InChI

InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)

InChIKey

OTGSESBEJUHCES-UHFFFAOYSA-N

LogP

1.8891

Topological Polar Surface Area

72.83 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

289

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

Ethyl 4-carboxymethyl-2-ethoxybenzoate
3-ethoxy-4-ethoxycarbonyl phenylacetic acid;4-Ehtoxycarbonyl-3-Ehtoxyphynylacetic Acid;4-Ethoxycarbonyl-3-ethoxyphenylacetic acid
DTXSID80244066
2-(3-Ethoxy-4-(ethoxycarbonyl)phenyl)aceticacid
3-Ethoxy-4-(ethoxycarbonyl)phenylacetic acid
3-ethoxy-4-ethoxycarbonyl phenyl acetic acid
A24998
GG6C71LIOD
SCHEMBL391346
112GI005
OTGSESBEJUHCES-UHFFFAOYSA-N
ethyl 2-ethoxy-4-carboxymethylbenzoate
PS-7455
4-Ethoxycarbonyl-3-ethoxyphenylacetic acid
3-Ethoxy-4-ethoxycarbonyl phenylacetic acid
NS00006678
2-(4-(ethoxycarbonyl)-3-ethoxyphenyl)acetic acid
4-Ethoxycaybonyl-3-ethoxyphenyiaceticacid
Q27279085
Repaglinide Imp. B (EP); Repaglinide USP Related Compound B; Repaglinide USP RC B; [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic Acid; Repaglinide Related Compound B; Repaglinide Impurity B
Ethyl 4-(carboxymethyl)-2-ethoxybenzoate
4-Ethoxycabonyl-3-ethoxyphenylacetic acid
2-(3-Ethoxy-4-ethoxycarbonylphenyl)acetic Acid
3-Ethoxy-4-(ethoxy carbonyl)-phenyl acetic acid
FT-0649265
REPAGLINIDE IMPURITY B [EP IMPURITY]
Repaglinide specified impurity B [EP]
4-(Ethoxycarbonyl)-3-ethoxyphenylacetic acid
4-carboxymethyl-2-ethoxy-benzoic acid ethyl ester
Efavirenz 1-Desamine-1-oxy
BCP22607

MDL Number

MFCD08704233

Customs Code

2942000000

FAQ

What is [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5)?

[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) is a synthetic organic compound with the chemical formula C15H18O5. It features a phenyl ring substituted with ethoxy and ethoxycarbonyl groups, linked to an acetic acid moiety. This compound is known for its stability in organic solvents and is commonly used in pharmaceutical research due to its versatile chemical structure.

What are the main uses of [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5)?

[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) is primarily utilized in the pharmaceutical industry as a key intermediate in drug synthesis. It also finds applications in organic chemistry research, industrial chemical manufacturing, and as a building block for developing compounds with specific biological activities. Its utility stems from its functional groups and reactivity in chemical reactions.

Is [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) safe?

[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) requires careful handling due to potential toxicity upon inhalation, ingestion, or skin contact. Safety data sheets (SDS) recommend wearing gloves, goggles, and a lab coat. Proper ventilation and adherence to OSHA standards are essential. Always follow established safety protocols when working with this compound to minimize risks.

How should [3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) be stored?

[3-Ethoxy-4-(ethoxycarbonyl)phenyl]acetic acid (CAS: 99469-99-5) should be stored in a cool, dry, and dark environment at temperatures below 25°C. Keep in a sealed, inert container to prevent moisture and light exposure. Ensure storage conditions maintain its chemical stability and avoid contamination. Always store away from incompatible substances as per safety guidelines.