4-Acetoxybenzoic acid

Basic Information

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CAS Number

2345-34-8

Molecular Formula

C9H8O4

Molecular Weight

180.16 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

190.0 to 196.0 deg-C

Boiling Point

272.96°C (rough estimate)

Flash Point

133.2 °C

Refractive Index

1.4500 (estimate)

SMILES

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CC(=O)OC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)

InChIKey

GDBUZIKSJGRBJP-UHFFFAOYSA-N

LogP

1.3101

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

204

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS001407761
FT-0617390
EINECS 219-066-9
4-(Acetyloxy)benzoic acid
5L73XP7H9J
bmse010135
4-Acetoxybenzoic acid, 96%
4-Carboxyphenyl acetate
p-Hydroxybenzoic acid acetate
2345-34-8
W13458
F1565-0130
SCHEMBL40184
4-(Acetyloxy)benzoic acid #
Q27159246
Benzoic acid, 4-(acetyloxy)-
NSC11340
DTXSID1062334
AI3-20213
Benzoic acid, acetate
UNII-5L73XP7H9J
CHEMBL131987
SR-01000388952
Benzoic acid, p-hydroxy-, acetate
4-Acetoxy benzoic acid
CHEBI:86560
NSC 11340
p-Carboxyphenyl acetate
p-Acetoxybenzoic acid
SY017854
EN300-11679

MDL Number

MFCD00002540

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 4-Acetoxybenzoic acid (CAS: 2345-34-8)?

4-Acetoxybenzoic acid (CAS: 2345-34-8) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical based on its physical and chemical properties, which necessitates adherence to specific safety data sheet (SDS) and material safety data sheet (MSDS) provisions. Additionally, manufacturers and importers must comply with REACH for registration, evaluation, authorization, and restriction. In the US, EPA regulations under the Toxic Substances Control Act (TSCA) also apply, ensuring that the compound is handled in an environmentally responsible manner.

Are there alternatives to 4-Acetoxybenzoic acid (CAS: 2345-34-8) in synthesis?

While 4-Acetoxybenzoic acid (CAS: 2345-34-8) is a well-established compound, there are alternative reagents and synthetic approaches available. For instance, 2-Acetylphenol can serve as a precursor in some reactions due to its similar functional groups. Other alternatives include using isomers like 4-Hydroxybenzoic acid or employing different acid derivatives. These alternatives can offer similar reactivity but with varying degrees of toxicity and environmental impact.

What is the market or research trend for 4-Acetoxybenzoic acid (CAS: 2345-34-8)?

The market for 4-Acetoxybenzoic acid (CAS: 2345-34-8) is driven by its applications in pharmaceuticals, agrochemicals, and analytical chemistry. Recent research trends focus on its use in developing new drug candidates and as an intermediate in synthetic pathways. Market trends indicate increasing demand due to its role in synthesizing compounds with therapeutic potential. Additionally, there is a growing emphasis on sustainable and eco-friendly chemical processes, which could influence the development of alternative, less hazardous compounds or production methods.

How should waste containing 4-Acetoxybenzoic acid (CAS: 2345-34-8) be handled?

Waste containing 4-Acetoxybenzoic acid (CAS: 2345-34-8) should be managed according to strict environmental and safety protocols. Collection and storage should be done in properly labeled containers to prevent contamination. Incineration is a common method of disposal, but it should be performed in specialized facilities to minimize air pollution. Alternatively, professional waste disposal services can handle the waste through chemical waste treatment and disposal methods that comply with environmental regulations. Adequate protective measures, such as personal protective equipment (PPE), must be used during handling to ensure worker safety and prevent environmental contamination.