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A13204

4-Acetylbutyric acid

Name: 4-Acetylbutyric acid
Brand: ALDRICH

97%

Synonym(s):

5-Ketohexanoic acid

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About This Item

Linear Formula:

CH₃CO(CH₂)₃CO₂H

CAS Number:

3128-06-1

Molecular Weight:

130.14

NACRES:

NA.22

PubChem Substance ID:

24890531

UNSPSC Code:

12352100

EC Number:

221-511-7

MDL number:

MFCD00004412

Assay:

97%

Form:

liquid

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Properties

Quality Segment

100

assay

97%

form

liquid

refractive index

n20/D 1.4451 (lit.)

bp

274-275 °C (lit.)

mp

13-14 °C (lit.)

density

1.09 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)CCCC(O)=O

InChI

1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)

InChI key

MGTZCLMLSSAXLD-UHFFFAOYSA-N

Description

Application

4-Acetylbutyric acid may be used in the preparation of the following compounds:

5-hydroxyhexanoic acid
6-methyl1-3,4-dihydro-pyran-2-one, precursor for 5-acetyl-tetrahydro-2-(3H)-furanone
substituted N-aminolactams
(±)-5-methyl-δ-valerolactone

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Gloves

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