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Home > Encyclopedia > Heptanoic acid, 3-oxo-, methyl ester

Heptanoic acid, 3-oxo-, methyl ester

Heptanoic acid, 3-oxo-, methyl ester structure

Heptanoic acid, 3-oxo-, methyl ester 

structure
  • CAS No:

    39815-78-6

  • Formula:

    C8H14O3

  • Chemical Name:

    Heptanoic acid, 3-oxo-, methyl ester

  • Synonyms:

    Heptanoic acid,3-oxo-,methyl ester;Methyl 3-oxoheptanoate;Methyl pentanoylacetate;3-Oxoheptanoic acid methyl ester

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Description

Colorless to pale yellow transparent liquid

Heptanoic acid, 3-oxo-, methyl ester Basic Attributes

158.19

158.20

609-745-1

DTXSID40338056

29159000

Characteristics

43.4

1.3

0.994 g/mL at 20ºC(lit.)

54-55 °C @ Press: 0.1 Torr

95 °C

1.421

Safety Information

24/25

Heptanoic acid, 3-oxo-, methyl ester Use and Manufacturing

The following may be mentioned as more particular examples of compounds of formula (Va3) or (Va4): ... n-heptyl acetoacetate, n-octyl acetoacetate, methyl 3-oxopentanoate, methyl 3-oxohexanoate, Process according to claim 15, wherein the ketonic compound of formula (Va3) or (Va4) is selected from: ... n-heptyl acetoacetate, n-octyl-acetoacetate, methyl 3-oxopentanoate, methyl 3-oxohexanoate,

Computed Properties

Molecular Weight:158.19
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:158.094294304
Monoisotopic Mass:158.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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