3-Methyl-2-buten-1-yl thiocyanate

Basic Information

View in Editor

CAS Number

1936-96-5

Molecular Formula

C6H9NS

Molecular Weight

127.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

141 °C

SMILES

View in Editor

CC(=CCSC#N)C

InChI

InChI=1S/C6H9NS/c1-6(2)3-4-8-5-7/h3H,4H2,1-2H3

InChIKey

QWQGGPZHETYGOZ-UHFFFAOYSA-N

LogP

5.71140

Complexity

125

Synonyms & References

English

3-methylbut-2-enyl thiocyanate
[(3-methylbut-2-en-1-yl)sulfanyl]carbonitrile
1936-96-5
3-Methyl-2-butenyl thiocyanate
Thiocyanic acid, 3-methyl-2-buten-1-yl ester
DTXSID901255607
dimethylallyl thiocyanate
Acid Orange G
C.I.Acid Orange 10
OG-6
ORANGE G
ORANGE G CERTIFIED
XYLENE FAST ORANGE G
CI NO 16230
1,1-diethoxy-3-methyl-2-butene
1,1-diethoxy-3-methyl-but-2-ene
1-thiocyanato-3-methyl-2-butene
2-iso-pentenyl thiocyanate
3,3-dimethylacrolein diethylacetal
3-methyl-2-butenal diethyl acetal
3-methylbut-2-enal diethyl acetal
3-methyl-but-2-enylsulfanyl cyanate
3-Methyl-but-2-enylthiocyanat
diethoxy-3-methylbutenal

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-Methyl-2-buten-1-yl thiocyanate (CAS: 1936-96-5)?

3-Methyl-2-buten-1-yl thiocyanate is a colorless to light yellow liquid with a molecular weight of approximately 122.18 g/mol. It has a pungent odor and a slight solubility in water. This compound is highly reactive, particularly towards nucleophiles and can undergo substitution reactions. It is also prone to hydrolysis and can react with amines to form thiourea derivatives.

How is 3-Methyl-2-buten-1-yl thiocyanate (CAS: 1936-96-5) typically synthesized?

3-Methyl-2-buten-1-yl thiocyanate can be synthesized using a variety of methods, including the reaction of 3-methyl-2-buten-1-ol with hydrogen cyanide in the presence of a catalyst such as a strong acid. The reaction is conducted under controlled conditions to achieve high selectivity and yield. Other methods involve the use of thionyl chloride or other thiocyanating reagents.

What industries use 3-Methyl-2-buten-1-yl thiocyanate (CAS: 1936-96-5)?

3-Methyl-2-buten-1-yl thiocyanate finds applications in the pharmaceutical industry, where it is used as a precursor for synthesizing various organic compounds. It is also utilized in the polymer industry for the modification of polymers and in the production of sensors and semiconductors due to its reactivity.

What precautions should be taken when handling 3-Methyl-2-buten-1-yl thiocyanate (CAS: 1936-96-5)?

When handling 3-Methyl-2-buten-1-yl thiocyanate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using absorbent materials and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.