123-54-6

Product Name: Acetylacetone

Formula: C5H8O2

Synonyms: 2,4-Pentanedione;ACAC

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CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

CHEMICAL AND PHYSICAL PROPERTIES

Physical Description	Pentane-2,4-dione appears as a colorless or yellow colored liquid. Less dense than water. Vapors are heavier than air. Used as a solvent in paints and varnishes.
Color/Form	Colorless or slightly yellow liquid
Odor	Pleasant odor
Boiling Point	284.7 °F at 760 mmHg (USCG, 1999)
Melting Point	-10.3 °F (USCG, 1999)
Flash Point	93 °F (USCG, 1999)
Solubility	In water, 166,000 mg/L at 20 °C
Density	0.975 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density	3.5 (Air = 1)
Vapor Pressure	2.96 [mmHg]
LogP	log Kow = 0.40
Stability/Shelf Life	Stable under recommended storage conditions.
Autoignition Temperature	644 °F (USCG, 1999)
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides.
Viscosity	0.6 mPa.s at 20 °C
Heat of Combustion	-11,070 Btu/lb = -6,150 cal/g = -257X10+5 J/kg
Heat of Vaporization	36.55 kJ/mol at 101.3 kPa
Surface Tension	31.2 dynes/cm at 20 °C
Polymerization	Light may cause polymerization.
Odor Threshold	0.010 ppm
Refractive Index	Index of refraction: 1.4494 at 20 °C/D
Dissociation Constants	pKa = 8.93
Kovats Retention Index	795 756 760 753 775 779 760 764 764 790 775 804
Other Experimental Properties	Specific gravity: 0.9753 at 20 °C/20 °C
Chemical Classes	Other Classes -> Aliphatic Ketones, Other

SAFETY INFORMATION

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H226:Flammable liquids H302:Acute toxicity,oral
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight	100.12 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	100.052429494 g/mol
Monoisotopic Mass	100.052429494 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	82.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

PRODUCT INTRODUCTION

description

Pentane-2,4-dione appears as a colorless or yellow colored liquid. Less dense than water. Vapors are heavier than air. Used as a solvent in paints and varnishes.