4-Acetylbutyric Acid
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Product Description
Product
4-Acetylbutyric Acid
CAS
3128-06-1
Formula
C6H10O3
Synonym
4-ACETYLBUTYRIC ACID; 5-Ketocaproic acid; 5-Ketohexanoic acid; 5-Ketohexanoic acid~5-Oxohexanoi; 5-Oxohexanoate; 5-OXOHEXANOIC ACID; d-Ketocaproic acid; d-Oxocaproic acid; Hexanoic acid, 5-oxo-; ?-Acetylbutyric acid
Typical Product Specifications
Molecular weight
130.14
EINECS
221-511-7
SMILES
C(CCCC(O)=O)(C)=O
InChI
1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-N
Atmospheric OH Rate Constant
6.83E-12 cm3/molecule-sec
log P (octanol-water)
.00E+00
Melting Point
13.5 ° C
Boiling Point
274.5 ° C
Boiling Point
274-275 °C
Density
1.09 g/mL at 25 °C
Water solubility
Slightly soluble in water, chloroform and methanol.
Refractive Index
1.4451
Melting Point
13-14 °C
BRN Number
385840
Flash Point
>230 °F
Class
4-Acetylbutyric Acid
Product Description
Product
4-Acetylbutyric Acid
CAS
3128-06-1
Formula
C6H10O3
Synonym
4-ACETYLBUTYRIC ACID; 5-Ketocaproic acid; 5-Ketohexanoic acid; 5-Ketohexanoic acid~5-Oxohexanoi; 5-Oxohexanoate; 5-OXOHEXANOIC ACID; d-Ketocaproic acid; d-Oxocaproic acid; Hexanoic acid, 5-oxo-; ?-Acetylbutyric acid
Typical Product Specifications
Molecular weight
130.14
EINECS
221-511-7
SMILES
C(CCCC(O)=O)(C)=O
InChI
1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
MGTZCLMLSSAXLD-UHFFFAOYSA-N
Atmospheric OH Rate Constant
6.83E-12 cm3/molecule-sec
log P (octanol-water)
.00E+00
Melting Point
13.5 ° C
Boiling Point
274.5 ° C
Boiling Point
274-275 °C
Density
1.09 g/mL at 25 °C
Water solubility
Slightly soluble in water, chloroform and methanol.
Refractive Index
1.4451
Melting Point
13-14 °C
BRN Number
385840
Flash Point
>230 °F
Class
