Skip to Content
Merck
All Photos(1)

Documents

A13204

Sigma-Aldrich

4-Acetylbutyric acid

97%

Synonym(s):

5-Ketohexanoic acid

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3CO(CH2)3CO2H
CAS Number:
3128-06-1
Molecular Weight:
130.14
EC Number:
221-511-7
MDL number:
MFCD00004412
UNSPSC Code:
12352100
PubChem Substance ID:
24890531
NACRES:
NA.22

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

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 Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Identification of 5-hydroxyhexanoic acid, 4-hydroxyheptanoic acid and 4-hydroxyoctanoic acid as new constituents of bacterial polyhydroxyalkanoic acids.
Valentin HE, et al.
Applied Microbiology and Biotechnology, 46(3), 261-267 (1996)
(2S, 6S, 8S)-2, 8-Dimethyl-1, 7-dioxaspiro [5.5] undecane: A natural spiroacetal lacking anomeric stabilisation
Chen J, et al.
Tetrahedron Asymmetry, 6.4, 967- 972 (1995)
Proline-like β-turn mimics accessed via Ugi reaction involving monoprotected hydrazines.
Krasavin M, et al.
Tetrahedron Letters, 51(10), 1367-1370 (2010)
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)
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
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service