Acetonylacetone

$ 1.00 /1kg

career henan chemical co

7YR

China

Chemical Properties

Acetonylacetone Basic information

Product Name:	Acetonylacetone
Synonyms:	2,5-Diketohexane;2,5-Hexadione;Acetone, acetonyl-;Acetonyl acetone 2,5-hexanedione;acetonyl-aceton;alpha,beta-Diacetylethane;Diacetonyl;hexane-2,5-
CAS:	110-13-4
MF:	C6H10O2
MW:	114.14
EINECS:	203-738-3
Product Categories:	Pharmaceutical Intermediates;ketone;Aliphatics;Metabolites & Impurities;Mutagenesis Research Chemicals;Building Blocks;C3 to C6;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks
Mol File:	110-13-4.mol

Acetonylacetone Chemical Properties

Melting point	−6-−5 °C(lit.)
Boiling point	191 °C(lit.)
density	0.973 g/mL at 25 °C(lit.)
vapor pressure	0.43 mm Hg ( 20 °C)
refractive index	n20/D 1.425(lit.)
Fp	174 °F
storage temp.	Store below +30°C.
solubility	alcohol: miscible
form	Liquid
color	Clear yellow to brown
PH	6.1 (10g/l, H2O, 20℃)
explosive limit	1.5%(V)
Water Solubility	miscible
Merck	14,71
BRN	506525
Stability:	Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. Flammable.
InChIKey	OJVAMHKKJGICOG-UHFFFAOYSA-N
CAS DataBase Reference	110-13-4(CAS DataBase Reference)
NIST Chemistry Reference	CH3COCH2CH2COCH3(110-13-4)
EPA Substance Registry System	2,5-Hexanedione(110-13-4)

Safety Information

Hazard Codes	Xn,Xi
Risk Statements	36/38-48/20/21/22-36/37/38
Safety Statements	23-26-36/37-37/39
WGK Germany	2
RTECS	MO3150000
F	8
TSCA	Yes
HS Code	29141990
Toxicity	LD50 orally in rats: 2.7 g/kg (Smyth, Carpenter)

MSDS Information

Acetonylacetone Usage And Synthesis

Chemical Properties	colourless to pale yellow liquid
Uses	It is the metabolite implicated in n-hexane neurotoxicity.
Definition	ChEBI: A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone
General Description	Clear colorless to amber liquid with a sweet aromatic odor.
Air & Water Reactions	Highly flammable. Water soluble.
Reactivity Profile	Acetonylacetone is incompatible with oxidizing agents. Acetonylacetone is also incompatible with strong bases and strong reducing agents.
Fire Hazard	Acetonylacetone is combustible.
Purification Methods	Purify it by dissolving in Et2O, stiring with K2CO3 (a quarter of the weight of dione), filtering, drying over anhydrous Na2SO4 (not CaCl2), filtering again, evaporating the filtrate and distilling it in a vacuum. It is then redistilled through a 30cm Vigreux column (p 11, oil bath temperature 150o). It is miscible with H2O and EtOH. The dioxime has m 137o (plates from *C6H6), the mono-oxime has b 130o/11mm, and the 2,4-dinitrophenylhydrazone has m 210-212o (red needles from EtOH). It forms complexes with many metals. [Werner et al. Chem Ber 22 2100 1989, for enol content see Gero J Org Chem 19 1960 1954, Beilstein 1 IV 3688.]

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