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282618

Sigma-Aldrich

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

98%

Synonym(s):

Di-tert-butyl ketone, Hexamethylacetone, Pivalone

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About This Item

Linear Formula:
(CH3)3CCOC(CH3)3
CAS Number:
Molecular Weight:
142.24
Beilstein:
1701122
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.419 (lit.)

bp

152-153 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

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

InChI

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

InChI key

UIQGEWJEWJMQSL-UHFFFAOYSA-N

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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.

Pictograms

Flame

Signal Word

Warning

Hazard Statements

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

93.2 °F - closed cup

Flash Point(C)

34 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Selective reductions. 26. Lithium triethylborohydride as an exceptionally powerful and selective reducing agent in organic synthesis. Exploration of the reactions with selected organic compounds containing representative functional groups.
Brown HC, et al.
The Journal of Organic Chemistry, 45(1), 1-12 (1980)
H F Chen et al.
Ecotoxicology and environmental safety, 30(2), 120-123 (1995-03-01)
The Microtox EC50 values for the following ketones are reported in the following homologous series: straight chain methyl ketones (acetone, 2-butanone, 2-pentanone, 2-hepatonone, 2-octanone, 2-decanone, and 2-tridecanone); methyl ketones substituted at one alpha carbon (3-methyl-2-butanone; 3,3-dimethyl-2-butanone); methyl substituted at two

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