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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 Level

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.)

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

Eyeshields, Gloves

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Cooperative hydrogen bonds of macromolecules. 3. A model study of the proximity effect.

Jaroslav Kríz et al.

The journal of physical chemistry. B, 111(22), 6118-6126 (2007-05-15)

Experimental and theoretical evidence for the proximity effect as a basic mechanism of the hydrogen bond cooperativity was obtained in a model system. Hydrogen bond (HB) interaction between poly(4-vinylpyridine) (PVP) and selected acids as HB donors was studied using PFG

A versatile and concise route to functionally substituted ?-butyrolactones and spiro-XXX-butyrolactones (lactone annelation)

Mandal AK and Jawalkar DG

Tetrahedron Letters, 27.1, 99-100 (1986)

Degradation of α-terpineol in aqueous solution by UV/H2O2: kinetics, transformation products and pathways.

Jie Yao et al.

Water science and technology : a journal of the International Association on Water Pollution Research, 79(11), 2195-2202 (2019-07-19)

The monoterpene alcohol α-terpineol is extensively used as the foaming agent in mineral processing and can be released to environment along with the wastewater. This study evaluated the feasibility of eliminating α-terpineol in water by ultraviolet irradiation (UV) in combination

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Global Trade Item Number

SKU	GTIN
A13204-5G	04061831811766
A13204-25G	04061831823530