Sodium 2-propylpentanoate - 2-propylpentanoic acid (1:1:1)

Basic Information

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CAS Number

76584-70-8

Molecular Formula

C16H31NaO4

Molecular Weight

310.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

222 ºC

Boiling Point

220°C at 760 mmHg

Flash Point

116.6 °C

SMILES

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

InChI

InChI=1S/2C8H16O2.Na/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1

InChIKey

MSRILKIQRXUYCT-UHFFFAOYSA-M

LogP

3.24010

Complexity

192

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Valproic Acid Semisodium Salt
FT-0625375
Valcote
Valproate semisodique [French]
Sodiumhydrogenbis(2-propylpentanoate)
Valdisoval
HMS3884O06
DepakoteER
Valproic acid semisodium salt (2:1)
Delepsine
AKOS015895200
Semisodium Valproate
Epilex
sodium;2-propylpentanoate;2-propylpentanoic acid
Sodium divalproate
Valproatum seminatricum
DTXSID70227388
Sodium hydrogen bis(2-propylvalerate)
Depakote CP
SCHEMBL40996
Valproate semisodique
Valproatum seminatricum (Latin)
Abbott-50711
DTXCID70149879
Valproato semisodico
CCG-267581
Divalproex sodium salt
644VL95AO6
HMS3651C17
Sodium Divalproex
Valproate semisodium [INN]

MDL Number

MFCD00879852

FAQ

What is Sodium 2-propylpentanoate (CAS: 76584-70-8)?

Sodium 2-propylpentanoate (CAS: 76584-70-8) is a chemical compound formed by the sodium salt of 2-propylpentanoic acid. It has the molecular formula C8H15NaO2 and is typically a white crystalline solid. This compound is characterized by its solubility in water and use as a functional group in various chemical processes. Its structure includes a pentanoic acid backbone with a propyl substituent, making it relevant in pharmaceutical and industrial applications.

What are the main uses of Sodium 2-propylpentanoate (CAS: 76584-70-8)?

Sodium 2-propylpentanoate (CAS: 76584-70-8) is primarily used in pharmaceuticals as a precursor for drug synthesis and in industrial applications for polymer production. It also serves as a reagent in organic chemistry research, particularly in esterification reactions. Additionally, it may be employed in food industry formulations as a flavoring agent or in chemical manufacturing processes requiring specific functional groups.

Is Sodium 2-propylpentanoate (CAS: 76584-70-8) safe?

Sodium 2-propylpentanoate (CAS: 76584-70-8) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions, including avoiding skin contact and inhalation. Protective measures such as gloves, goggles, and a fume hood are recommended. While it is not classified as highly toxic, prolonged exposure or ingestion may pose risks, and safety data sheets (SDS) should be consulted for detailed guidelines.

How should Sodium 2-propylpentanoate (CAS: 76584-70-8) be stored?

Sodium 2-propylpentanoate (CAS: 76584-70-8) should be stored in a cool, dry place, preferably at 2-8°C, to maintain stability. It requires airtight containers to prevent moisture absorption and degradation. Avoid exposure to light and ensure storage in well-ventilated areas. Keep away from incompatible substances and label containers clearly for safe handling and emergency response.