2,2,4,4-Tetramethyl-3-pentanone

Basic Information

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CAS Number

815-24-7

Molecular Formula

C9H18O

Molecular Weight

142.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

152-153

Boiling Point

152-153 °C

Density

0.824 g/mL at 25 °C

Refractive Index

n20/D 1.419(lit.)

Vapor Pressure

3.5±0.3 mmHg at 25°C

SMILES

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CC(C)(C)C(=O)C(C)(C)C

InChI

InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3

InChIKey

UIQGEWJEWJMQSL-UHFFFAOYSA-N

LogP

2.6477000000000013

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

116

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3.2 Class 3.2

Stability

Stable. Flammable. Incompatible with strong oxidizing agents.

Synonyms & References

English

AS-16106
SCHEMBL105130
E70342
815-24-7
2,2,4,4-Tetramethylpentan-3-one
2,2,4,4-TETRAMETHYL-3-PENTANONE
2,2,4,4-Tetramethyl-3-pentanone, 98%
A840153
NSC848
DTXSID1061154
3-Pentanone,2,4,4-tetramethyl-
Hexamethylacetone
3-Pentanone, 2,2,4,4-tetramethyl-
CS-0132314
NS00038132
Di-tert-butyl ketone
EINECS 212-419-8
NSC 848
AKOS009157034
InChI=1/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H
di-t-butyl ketone
FT-0653541
NSC-848
2,2,4,4-Tetramethyl-pentan-3-one
UNII-9PW4P959GQ
(t-C4H9)2CO
W-104206
MFCD00008845
AI3-11096
9PW4P959GQ
EN300-98261

MDL Number

MFCD00008845

Customs Code

2914190090

FAQ

What are the physical and chemical properties of 2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7)?

2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7) is a colorless liquid with a boiling point of 169°C and a molecular weight of 130.21 g/mol. It is slightly soluble in water but miscible with most organic solvents. Chemically, it is reactive towards basic conditions and undergoes hydrolysis under certain conditions.

How is 2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7) typically synthesized?

2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7) is synthesized by the acetoxylation of 2,2,4,4-tetramethyl-1-pentene using acetic anhydride as the acetoxylation agent. This process yields a high purity product with good selectivity and yield.

What industries use 2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7)?

2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7) is used in the pharmaceutical industry for the synthesis of various organic compounds and in the polymer industry as a monomer for polymerization processes. It also finds applications in the production of sensors and semiconductors.

What precautions should be taken when handling 2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7)?

When handling 2,2,4,4-Tetramethyl-3-pentanone (CAS: 815-24-7), wear appropriate personal protective equipment (PPE) including gloves and safety goggles. Store in a well-ventilated area away from heat sources and incompatible materials. Use a fume hood during any operations to minimize exposure. Refer to the safety data sheet (SDS) for detailed handling and disposal information.