2-methylthiolan-3-one

Basic Information

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CAS Number

13679-85-1

Molecular Formula

C5H8OS

Molecular Weight

116.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

86°C/30mmHg

Flash Point

71 ºC

Refractive Index

1.508

SMILES

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CC1SCCC1=O

InChI

InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChIKey

YMZZPMVKABUEBL-UHFFFAOYSA-N

LogP

1.0809

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

90.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

2-Methyldihydrothiophen-3(2H)-one
2-Methyl-3-tetrahydrothiophenone
Dihydro-2-methyl-3(2H)-thiophenone
2-Methyltetrahydrothiophen-3-one
2-Mehyl tetrahydrothiophen-3-one
2-Meth
2-Methyl-3-oxotetrahydrothiophene
2-Methyl-3-thiolanone
2-methyl-dihydro-thiophen-3-one
2-Methylthiolan-3-one
2-methytetrahydrothiophen-3-one
FEMA 3512
Thiolan-3-one,2-methyl
Thiolan-3-thiol,2-methyl
Methyltetrahydrothiophen-3-
Thiolan-3-one, 2-methyl
Thiolan-3-thiol, 2-methyl
2-methylthiolan-3-one

MDL Number

MFCD00078280

Customs Code

2934999090

FAQ

What is 2-methylthiolan-3-one (CAS: 13679-85-1)?

2-Methylthiolan-3-one, also known as 3-Methylthio-1-propanone, is a colorless to light yellow liquid with a strong odor. It has the chemical formula C4H6OS and a CAS number of 13679-85-1. This compound is used in various applications such as fragrance and flavoring agents, and as an intermediate in organic synthesis.

What are the main uses of 2-methylthiolan-3-one (CAS: 13679-85-1)?

2-Methylthiolan-3-one is primarily used as a fragrance and flavoring agent, contributing to the aroma of various products like perfumes, soaps, and food. It also serves as a key intermediate in the synthesis of other organic compounds.

Is 2-methylthiolan-3-one (CAS: 13679-85-1) safe?

2-Methylthiolan-3-one is generally considered safe for use in fragrances and flavors when used within the recommended limits. However, it should be handled with care due to its strong odor and potential inhalation hazards. Proper通风和防护措施应得到遵守，避免皮肤接触和吸入蒸气。

How should 2-methylthiolan-3-one (CAS: 13679-85-1) be stored?

2-Methylthiolan-3-one should be stored in tightly sealed containers in a cool, dry place away from direct sunlight and heat sources. The storage temperature should be maintained below 30°C to prevent decomposition. It is also important to keep the container tightly closed to avoid evaporation and contamination.