1-Heptanethiol

Basic Information

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CAS Number

1639-09-4

Molecular Formula

C7H16S

Molecular Weight

132.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-43°C

Boiling Point

173-176 °C/765 mmHg

Solubility

0.009g/l

Refractive Index

n20/D 1.4520(lit.)

SMILES

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CCCCCCCS

InChI

InChI=1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

InChIKey

VPIAKHNXCOTPAY-UHFFFAOYSA-N

LogP

2.886600000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

35.4

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Air Sensitive

Explosive Limit

0.9%(V)

Synonyms & References

English

1-Heptanethiol
n-Heptyl mercaptan
Heptanethiol
1-Heptanethiolneat
heptane-1-thiol
Heptyl Mercaptan
Heptyl mercaptan Mercaptan C7
Mercaptan C7
1-Heptylthiol
1-Mercaptoheptane
Heptylthiol
NSC 71119
n-Heptanethiol
n-Heptylthiol
usafek-2122
HEPTANTHIOL
1-heptanthiol
N-heptanthiol
USAF ek-2122
Heptyl thiol
n-Heptylmercaptan
Normal-heptyl mercaptan
VPIAKHNXCOTPAY-UHFFFAOYSA-N
380ZE61GR2
WLN: SH7
KSC179K3D
Jsp003293
NSC71119
A
Heptyl mercaptan
MERCAPTAN C7

MDL Number

MFCD00004911

Customs Code

29309070

FAQ

What are the physical and chemical properties of 1-Heptanethiol (CAS: 1639-09-4)?

1-Heptanethiol (CAS: 1639-09-4) is a colorless to pale yellow liquid with a distinctive odor. It has a molecular weight of approximately 122.22 g/mol and a density of about 0.875 g/cm³. The compound is slightly soluble in water but highly soluble in organic solvents like ethanol and ether. Chemically, it is known for its thiol functionality, which makes it reactive towards various electrophiles. It is often used in the synthesis of thioether derivatives and as a ligand in coordination chemistry.

How is 1-Heptanethiol (CAS: 1639-09-4) typically synthesized?

1-Heptanethiol can be synthesized by the reaction of 1-heptanol with hydrogen sulfide in the presence of a strong acid catalyst, such as hydrochloric acid. The reaction is typically conducted at room temperature and generates 1-Heptanethiol with good yield and selectivity. Alternative methods include the reduction of 1-heptanoyl chloride with sodium sulfide, which is also an effective and common approach.

What industries use 1-Heptanethiol (CAS: 1639-09-4)?

1-Heptanethiol (CAS: 1639-09-4) finds application in various industries. It is used in the pharmaceutical sector for the synthesis of thioether drugs. In the polymer industry, it serves as a chain transfer agent in controlled polymerization processes. Additionally, it is employed in the manufacturing of sensors, particularly those used for detecting hydrocarbons and other volatile organic compounds. Its use in semiconductors is less common but involves applications in etching processes and as a precursor in certain semiconductor fabrication techniques.

What precautions should be taken when handling 1-Heptanethiol (CAS: 1639-09-4)?

When handling 1-Heptanethiol (CAS: 1639-09-4), it is essential to follow strict safety guidelines. Use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure to the volatile and toxic fumes. Store the compound in a cool, dry place away from sources of ignition. In case of a spill, use appropriate containment and clean up with caution, following the Material Safety Data Sheet (MSDS) guidelines. Always consult the latest SDS for specific safety information and emergency procedures.