A13204
4-Acetylbutyric acid
97%
Synonym(s):
5-Ketohexanoic acid
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About This Item
Linear Formula:
CH3CO(CH2)3CO2H
CAS Number:
Molecular Weight:
130.14
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
Related Categories
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)
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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
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Valentin HE, et al.
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