HEXAMETHYLACETONE Chemical Properties

Melting point:

152-153

Boiling point:

152-153 °C (lit.)

Density 

0.824 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.419(lit.)

Flash point:

91 °F

storage temp. 

Store at room temperature

form 

Liquid

Specific Gravity

0.824

color 

Clear colorless

BRN 

1701122

Dielectric constant

9.3599999999999994

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents.

InChI

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

InChIKey

UIQGEWJEWJMQSL-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

815-24-7(CAS DataBase Reference)

EPA Substance Registry System

Di-tert-butyl ketone (815-24-7)

Safety Information

Hazard Codes 

F

Risk Statements 

10

Safety Statements 

23-24/25

RIDADR 

UN 1224 3/PG 3

WGK Germany 

3

Hazard Note 

Flammable

TSCA 

TSCA listed

HazardClass 

3.2

PackingGroup 

III

HS Code 

29141900

MSDS

• Language:English Provider:SigmaAldrich

HEXAMETHYLACETONE Usage And Synthesis

Chemical Properties

colourless liquid

Uses

Hexamethylacetone is used to prepare di-tert.-butyladamantylcarbinol by reacting with 1-bromo-adamantane.

Synthesis Reference(s)

Journal of the American Chemical Society, 71, p. 4141, 1949 DOI: 10.1021/ja01180a082
The Journal of Organic Chemistry, 39, p. 611, 1974 DOI: 10.1021/jo00919a007

General Description

The Microtox EC₅₀ values for 2,2,4,4-tetramethyl-3-pentanone has been reported. The kinetics, stoichiometry and products of the reduction reaction of 2,2,4,4-tetramethyl-3-pentanone using lithium triethylborohydride under standard conditions (tetrahydrofuran, 0°C) has been examined.

HEXAMETHYLACETONE(815-24-7)Related Product Information

• HEXAMETHYLACETONE
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• 2-OXO-1,1,3,3-CYCLOHEXANETETRAPROPIONIC ACID
• HEXAMETHYLACETONE
• 2,2,6,6-TETRAMETHYLCYCLOHEXANONE
• 2,2,4,4-TETRAMETHYL-3-PENTANONE OXIME,2,2,4,4-TETRAMETHYL-3-PENTANONE OXIME, 9 7%
• 1,8-dimethyl-3,6-diazatricyclo[4.3.1.1~3,8~]undecan-9-one
• 2,2,5,5-TETRAKIS(HYDROXYMETHYL)CYCLOPENTANONE
• 3,3,4,4-Tetramethyl-2-pentanone
• 2,2,4,4-TETRAMETHYL-3-PENTANONE IMINE
• 2,2,5,5-TETRAMETHYLCYCLOPENTANONE
• 6-CARBETHOXY-2,2,6-TRIMETHYLCYCLOHEXANONE
• HEXAMETHYLCYCLOHEXANE-1,3,5-TRIONE
• 1,5-DIMETHYL-3,7-DIAZA-BICYCLO[3.3.1]NONAN-9-ONE
• (+)-FENCHONE
• 5,7-DIPHENYL-1,3-DIAZOADAMANTAN-6-ONE
• 1,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE