Sodium 4-phenylbutanoate

Basic Information

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CAS Number

1716-12-7

Molecular Formula

C10H11NaO2

Molecular Weight

186.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

No data available

Boiling Point

272.9°C at 760 mmHg

Density

No data available

Flash Point

No data available

Solubility

H2O: ≥5mg/mL

SMILES

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C1=CC=C(C=C1)CCCC(=O)[O-].[Na+]

InChI

InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1

InChIKey

VPZRWNZGLKXFOE-UHFFFAOYSA-M

LogP

0.75920

Complexity

142

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

O0511
Q7553358
AMX0035 COMPONENT SODIUM PHENYLBUTYRATE
FT-0619402
TriButyrate
AKOS015967141
SODIUM PHENYLBUTYRATE (EP MONOGRAPH)
CMK-304
HY-15654
CHEBI:75316
F14969
SODIUM PHENYLBUTYRATE [MART.]
J-524277
CCG-213730
Sodium 4-phenylbutanoate
Sodium Phenylbutyrate Tablets, 500 mg
Ammonapse
Lunaphen
Buphenyl (TN)
SY067225
AMY13389
Sodium phenylbutyrate [USAN:BAN]
Sodium 4-phenylbutyrate;TriButyrate
SODIUM PHENYLBUTYRATE [ORANGE BOOK]
HMS3269N07
4-PB
Ammonaps
ALBRIOZA component SODIUM PHENYLBUTYRATE
DTXCID5020948
NSC 657802
SODIUM PHENYLBUTYRATE [EP MONOGRAPH]

MDL Number

MFCD00800247

Customs Code

2916399090

FAQ

What is Sodium 4-phenylbutanoate (CAS: 1716-12-7)?

Sodium 4-phenylbutanoate (CAS: 1716-12-7) is a sodium salt of 4-phenylbutanoic acid. It appears as a white crystalline powder and is highly soluble in water. The compound has a molecular formula of C10H11NaO2 and exhibits typical properties of carboxylate salts, including stability under normal conditions and a melting point around 150–155°C. It is commonly used in chemical synthesis and research applications.

What are the main uses of Sodium 4-phenylbutanoate (CAS: 1716-12-7)?

Sodium 4-phenylbutanoate (CAS: 1716-12-7) is primarily used as a pharmaceutical intermediate in the synthesis of antipsychotic drugs and other therapeutic agents. It also serves in industrial applications, such as polymer production, and is utilized in the food industry as a flavoring agent. Researchers employ it for organic synthesis and studying metabolic pathways due to its reactivity and structural versatility.

Is Sodium 4-phenylbutanoate (CAS: 1716-12-7) safe?

Sodium 4-phenylbutanoate (CAS: 1716-12-7) is generally considered safe when handled properly. However, it requires standard safety precautions, such as wearing gloves, goggles, and a lab coat to avoid skin or eye contact. Inhalation should be minimized, and it should be stored in a well-ventilated area. Safety data sheets indicate no significant toxicity, but adherence to OSHA and EPA guidelines is recommended for safe handling.

How should Sodium 4-phenylbutanoate (CAS: 1716-12-7) be stored?

Sodium 4-phenylbutanoate (CAS: 1716-12-7) should be stored in a sealed, airtight container in a cool, dry place (ideally 2–8°C) to maintain stability. It is sensitive to moisture and light, so storage in a dark environment is essential. Keep away from incompatible materials and ensure proper labeling to prevent contamination and ensure long-term preservation.