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3848-24-6

3848-24-6 structural image
Product Name: 2,3-HEXANEDIONE
Formula: C6H10O2
Synonyms: 2,3-Hexanedione;Acetyl butyryl;propyl diketone, methylpropylglyoxal
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)
Boiling Point 262 °F at 760 mmHg (NTP, 1992)
Melting Point -30.00 °C. @ 760.00 mm Hg
Flash Point 83 °F (NTP, 1992)
Solubility less than 1 mg/mL at 72 °F (NTP, 1992)
Density 0.934 at 66 °F (NTP, 1992) - Less dense than water; will float
Vapor Pressure 0.5 mmHg at 84 °F ; 19.0 mmHg at 124 °F (NTP, 1992)
Refractive Index 1.409-1.419
Kovats Retention Index 757.7 764 755 733

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 114.14 g/mol
XLogP3 0.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 114.068079557 g/mol
Monoisotopic Mass 114.068079557 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 105
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

2,3-hexanedione is a yellow liquid. Sharp penetrating odor in high concentrations. Sweet, aromatic odor when diluted. (NTP, 1992)

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