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123-63-7

123-63-7 structural image
Product Name: Paraldehyde
Formula: C6H12O3
Synonyms: Paraldehyde;2,4,6-Trimethyl-1,3,5-trioxane;2,4,6-Trimethyl-1,3,5-trioxacyclohexane;Paracetaldehyde;Acetaldehyde trimer
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Paraldehyde appears as a clear colorless liquid with a pleasant odor. Flash point 96 °F. Melting point 54 °F. Less dense than water. Vapors are heavier than air.
Color/Form COLORLESS, TRANSPARENT LIQUID
Odor CHARACTERISTIC AROMATIC ODOR
Taste DISAGREEABLE TASTE
Boiling Point 262 °F at 760 mmHg (NTP, 1992)
Melting Point 54.7 °F (NTP, 1992)
Flash Point 96 °F (NTP, 1992)
Solubility Sparingly soluble (NTP, 1992)
Density 0.9943 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 4.5
Vapor Pressure 11.0 [mmHg]
LogP 0.73
Stability/Shelf Life ON EXPOSURE TO LIGHT & AIR, IT DECOMP TO ACETALDEHYDE & IS OXIDIZED TO ACETIC ACID
Autoignition Temperature 460 °F (USCG, 1999)
Viscosity 1.128 centipoise at 70 °F
Corrosivity ... Has solvent /like/ action upon rubber, polystyrene, & styrene-acrylonitrile copolymer
Heat of Combustion -5,652 cal/g (236X10+5 J/kg) at 25 °C
Heat of Vaporization 75 cal/g (latent heat of vaporization)
Surface Tension 27.82 dynes/cm
Odor Threshold 0.02-0.025 mg/cu m (recognition)
Refractive Index INDEX OF REFRACTION: 1.4049 AT 20 °C/D
Kovats Retention Index 755 786 763 767 767 771 786
Other Experimental Properties GIVES ACETALDEHYDE ON HEATING WITH DIL HCL OR ON WARMING WITH SEVERAL DROPS CONCENTRATED H2SO4
Chemical Classes Other Classes -> Aldehydes

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
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.
P243:Take precautionary measures against static discharge.

COMPUTED DESCRIPTORS

Molecular Weight 132.16 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 132.078644241 g/mol
Monoisotopic Mass 132.078644241 g/mol
Topological Polar Surface Area 27.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 63.3
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

Paraldehyde appears as a clear colorless liquid with a pleasant odor. Flash point 96 °F. Melting point 54 °F. Less dense than water. Vapors are heavier than air.

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