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Home > Encyclopedia > 6-Methyl-2,4-heptanedione

6-Methyl-2,4-heptanedione

6-Methyl-2,4-heptanedione structure

6-Methyl-2,4-heptanedione 

structure
  • CAS No:

    3002-23-1

  • Formula:

    C8H14O2

  • Chemical Name:

    6-Methyl-2,4-heptanedione

  • Synonyms:

    2,4-Heptanedione,6-methyl-;6-Methyl-2,4-heptanedione;Isovalerylacetone;2-Methyl-4,6-heptanedione;NSC 42238;NSC 42240;NSC 46469;NSC 94

Description

Clear colorless to pale yellow liquid


6-Methylheptan-2,4-dione is a beta-diketone.

6-Methyl-2,4-heptanedione Basic Attributes

142.19600

142.20

221-093-6

O97VUG08UB

94

DTXSID5062768

29141990

Characteristics

34.14000

1.58070

0.9203 g/cm3 @ Temp: 20 °C

25°C

97-100 °C @ Press: 50 Torr

58 °C

1.455-1.4577

It is insoluble in water.

Safety Information

III

3

UN 1993 3/PG 3

3

R36/37/38

S26-S36

Xi: Irritant;

P261-P305 + P351 + P338

H226-H315-H319-H335

|Warning|H226 (93.62%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6-Methyl-2,4-heptanedione Use and Manufacturing

2,4-Heptanedione, 6-methyl-: ACTIVE

Fatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]

Computed Properties

Molecular Weight:142.20
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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