Sodium 4-(butoxycarbonyl)phenolate

Basic Information

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CAS Number

36457-20-2

Molecular Formula

C11H13NaO3

Molecular Weight

216.21 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

Boiling Point

309.2 °C at 760 mmHg

Flash Point

129.2 °C

SMILES

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CCCCOC(=O)c1ccc(cc1)[O-].[Na+]

InChI

InChI=1S/C11H14O3.Na/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7,12H,2-3,8H2,1H3;/q;+1/p-1

InChIKey

OGBHACNFHJJTQT-UHFFFAOYSA-M

LogP

2.78730

Complexity

177

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

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

Synonyms & References

English

butyl 4-hydroxybenzoate sodium salt
Sodium Butyl P-Hydroxybenzoate
Sodium Butylparaben
Butylparaben sodium salt
sodium,4-butoxycarbonylphenolate

MDL Number

MFCD01661516

Customs Code

2918990090

FAQ

What is Sodium 4-(butoxycarbonyl)phenolate (CAS: 36457-20-2)?

Sodium 4-(butoxycarbonyl)phenolate is a chemical compound with the CAS number 36457-20-2. It is the sodium salt of 4-(butoxycarbonyl)phenol, which contains a phenolic group attached to a butoxycarbonyl (BOC) protecting group. This compound is commonly used as an intermediate in organic synthesis and has a molecular formula of C10H12NaO4. It is typically a white solid with a mild aromatic odor and is soluble in polar solvents.

What are the main uses of Sodium 4-(butoxycarbonyl)phenolate (CAS: 36457-20-2)?

Sodium 4-(butoxycarbonyl)phenolate is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of various organic compounds, including esters and amides. In industrial settings, it can be used as a precursor for functional materials. Its utility in chemical research is due to its reactivity and stability, making it a valuable compound for structural modifications and derivatization processes.

Is Sodium 4-(butoxycarbonyl)phenolate (CAS: 36457-20-2) safe?

Sodium 4-(butoxycarbonyl)phenolate is generally considered safe when handled properly, but it requires caution due to its potential irritancy. It is advisable to use appropriate personal protective equipment (PPE) such as gloves and goggles when working with this compound. Safety data sheets (SDS) should be consulted for specific handling guidelines. Proper ventilation and adherence to standard chemical safety protocols are essential to ensure safe use and minimize exposure risks.

How should Sodium 4-(butoxycarbonyl)phenolate (CAS: 36457-20-2) be stored?

Sodium 4-(butoxycarbonyl)phenolate should be stored in a cool, dry, and well-ventilated area away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to strong acids or bases to preserve its chemical stability. Ensure storage conditions comply with local hazardous material regulations to maintain safety and product integrity.