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3128-06-1 - 4-Acetylbutyric acid, 97% - 5-Ketohexanoic acid - 5-Oxohexanoic acid - L03978 - Alfa Aesar

L03978 4-Acetylbutyric acid, 97%

CAS Number
3128-06-1
Synonyms
5-Ketohexanoic acid
5-Oxohexanoic acid

Size Price ($) Quantity Availability
5g 38.70
25g 128.00
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4-Acetylbutyric acid, 97%

MDL
MFCD00004412
EINECS
221-511-7

Chemical Properties

Formula
CH3CO(CH2)3CO2H
Formula Weight
130.14
Melting point
12-14°
Boiling Point
274-275°
Flash Point
>110°(230°F)
Density
1.100
Refractive Index
1.4451
Solubility
Slightly soluble in water, chloroform and methanol.

Applications

4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.

Notes

Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with oxidizing agents.

Literature References

Andy J. Liedtke; Adegoke O. Adenij; Mo Chen; Michael C. Byrns; Yi Jin; David W. Christianson; Lawrence J. Marnett and Trevor M. Penning. Development of Potent and Selective Indomethacin Analogues for the Inhibition of AKR1C3 (Type 5 17β-Hydroxysteroid Dehydrogenase/Prostaglandin F Synthase) in Castrate-Resistant Prostate Cancer.J. Med. Chem.2013, 56 (6), 2429-2446.

GHS Hazard and Precautionary Statements

Hazard Statements: H315-H319

Causes skin irritation. Causes serious eye irritation.

Precautionary Statements: P280-P264-P305+P351+P338-P362-P321-P332+P313-P337+P313-P302+P352

Wear protective gloves/protective clothing/eye protection/face protection. Wash thoroughly after handling. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Take off contaminated clothing and wash before reuse. Specific treatment (see label). If skin irritation occurs: Get medical advice/attention. If eye irritation persists: IF ON SKIN: Wash with plenty of soap and water.

Other References

Beilstein
385840
Harmonized Tariff Code
2918.30
TSCA
Yes

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