4-Acetylbutyric acid

ALDRICH/A13204 - 97%

Synonym: 5-Ketohexanoic acid

CAS Number: 3128-06-1
Empirical Formula (Hill Notation): C₆H₁₀O₃
Molecular Weight: 130.14
EC Number: 221-511-7
MDL Number: MFCD00004412
Linear Formula: CH₃CO(CH₂)₃CO₂H
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-A13204-5G	5 g	$88.10 1/EA		Add To Favorites
45-A13204-25G	25 g	$320.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
bp	274-275 °C (lit.)
density	1.09 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChI key	MGTZCLMLSSAXLD-UHFFFAOYSA-N
mp	13-14 °C (lit.)
refractive index	n20/D 1.4451 (lit.)
SMILES string	CC(=O)CCCC(O)=O

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
Packaging:	5, 25 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	97%
bp	274-275 °C (lit.)
mp	13-14 °C (lit.)
Density	1.09 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.4451 (lit.)
UNSPSC	12352100

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