8-Sulfanyloctanoic acid

Basic Information

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CAS Number

74328-61-3

Molecular Formula

C8H16O2S

Molecular Weight

176.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Density

1.0326 g/mL at 25 °C

Refractive Index

n20/D 1.4808

SMILES

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C(CCCC(=O)O)CCCS

InChI

InChI=1S/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)

InChIKey

FYEMIKRWWMYBFG-UHFFFAOYSA-N

LogP

2.3414000000000006

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

104

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

74328-61-3
7-CARBOXY-1-HEPTANETHIOL
8-Mercaptooctanoic acid
8-Mercaptooctanoic acid, 95%
8-sulfanyloctanoic acid
8-Thiooctanoic acid
SCHEMBL202758
AKOS040768226
Octanoic acid, 8-mercapto-
FYEMIKRWWMYBFG-UHFFFAOYSA-N
DTXSID40225336
Octanoic acid,8-mercapto-
8-mercaptooctanoate
Octanoic acid,8-mercapto
MOA

MDL Number

MFCD08705279

FAQ

What are the physical and chemical properties of 8-Sulfanyloctanoic acid (CAS: 74328-61-3)?

8-Sulfanyloctanoic acid is a white crystalline solid with a molecular weight of approximately 208.27 g/mol. It is sparingly soluble in water and soluble in common organic solvents. Chemically, it is highly reactive due to the presence of a sulfone group which can participate in various chemical reactions such as esterification and nucleophilic substitution.

How is 8-Sulfanyloctanoic acid (CAS: 74328-61-3) typically synthesized?

8-Sulfanyloctanoic acid can be synthesized through the reaction of octanoic acid with sodium sulfite, followed by acidification to yield the sulfonic acid derivative. This process involves the addition of an excess of sodium sulfite to octanoic acid in the presence of a suitable solvent, such as water or methanol. The mixture is then acidified with a strong acid like sulfuric acid to obtain the final product.

What industries use 8-Sulfanyloctanoic acid (CAS: 74328-61-3)?

8-Sulfanyloctanoic acid has applications in the pharmaceutical industry for the synthesis of biologically active compounds. It is also used in the production of certain polymers and functional materials due to its unique chemical properties. Additionally, it can be used in the development of chemical sensors and semiconductors for its reactivity and functional group.

What precautions should be taken when handling 8-Sulfanyloctanoic acid (CAS: 74328-61-3)?

When handling 8-Sulfanyloctanoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be handled in a well-ventilated area or a fume hood to avoid inhalation of dust or vapors. Spills should be immediately cleaned up with appropriate absorbent materials. For more detailed information, refer to the Material Safety Data Sheet (MSDS/SDS).