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Triacetaldehyde

Catalog Number
ACMA00017414
Product Name
Triacetaldehyde
Category
Polymers
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.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
IUPAC Name
2,4,6-trimethyl-1,3,5-trioxane
Molecular Weight
132.16g/mol
Molecular Formula
C6H12O3;C6H12O3
Canonical SMILES
CC1OC(OC(O1)C)C
InChI
InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChI Key
SQYNKIJPMDEDEG-UHFFFAOYSA-N
Boiling Point
262 °F at 760 mm Hg (NTP, 1992);124.3 °C;124.5 °C;124.5 °C
Melting Point
54.7 °F (NTP, 1992);12.6 °C;12.6 °C;12.6 °C;12.6°C;12.6 °C
Flash Point
96 °F (NTP, 1992);96 °F (OPEN CUP);24 °C c.c.
Density
0.9943 at 68 °F (USCG, 1999);0.9923 @ 20 °C/4 °C;0.99 g/cm³
Solubility
Sparingly soluble (NTP, 1992);125g/L;0.85 M;112 mg/mL at 30 °C;SOL IN 8 PARTS WATER AT 25 °C; 17 PARTS BOILING WATER;Sol in water: 1 in 9 parts at 20 °C, 1 in 10 parts at 30 °C, & 1 in 11.5 parts at 37 °C;Sol in sodium chloride solution: 1 in 9.5 parts at 20 °C, 1 in 11 parts at 30 °C, & 1 in 12.5 parts at 37 °C;MISCIBLE WITH ALC, CHLOROFORM, ETHER, OILS;water solubility = 12g/100 g water at 13 degC;112 mg/mL at 30 °C;Solubility in water, g/100ml at 13 °C: 12
Application
Triacetaldehyde, a compound with distinct properties, serves several important purposes. It is primarily known for its therapeutic applications, particularly in addressing certain neurological and gastrointestinal conditions. By modulating neural activity, triacetaldehyde offers potential benefits in soothing symptoms related to nervous excitability. Furthermore, its unique chemical structure makes it suitable for use in various industrial and medical contexts, providing solutions through its versatile interactions in biological and chemical processes. Like its relatives in the aldehyde group, triacetaldehyde must be handled with care due to its reactivity, ensuring that its beneficial properties are maximized while minimizing any potential risks.
Color/Form
COLORLESS, TRANSPARENT LIQUID
Complexity
63.3
Corrosivity
... Has solvent /like/ action upon rubber, polystyrene, & styrene-acrylonitrile copolymer
Covalently-Bonded Unit Count
1
EC Number
204-639-8
Exact Mass
132.078644g/mol
Formal Charge
0
Heat of Vaporization
75 cal/g (latent heat of vaporization)
Heavy Atom Count
9
ICSC Number
1042
Log P
0.67 (LogP);0.67;Log Kow = 0.67;0.67;0.67
MeSH Entry Terms
Paraldehyde
Monoisotopic Mass
132.078644g/mol
NSC Number
9799
Odor
CHARACTERISTIC AROMATIC ODOR;Agreeable odor
Other Experimental
GIVES ACETALDEHYDE ON HEATING WITH DIL HCL OR ON WARMING WITH SEVERAL DROPS CONCENTRATED H₂SO₄;CONGEALS NOT BELOW 11 °C & DISTILS BETWEEN 120 DEG & 126 °C;SPECIFIC HEAT 0.434; BULK DENSITY 8.27 LB/GAL (20 °C);vapor pressure = 11.03 mm Hg at 25 degC;Heat capacity = 1.947 J/g-degK at25 degC;Heat of formation from acetaldehyde = -113.0 kJ/mole
Refractive Index
INDEX OF REFRACTION: 1.4049 AT 20 °C/D
Rotatable Bond Count
0
RTECS Number
YK0525000
Stability
ON EXPOSURE TO LIGHT & AIR, IT DECOMP TO ACETALDEHYDE & IS OXIDIZED TO ACETIC ACID;DECOMPOSES ON STANDING, STABLE TOWARD ALKALIES.;Preparations of paraldehyde that have a brownish color or a sharp penetrating odor of acetic acid should not be used.
UN Number
1264;1264;1264;1264
Vapor Density
4.5;Relative vapor density (air = 1): 4.5
Vapor Pressure
11.03 mmHg;25.3 mm Hg at 20 °C;Vapor pressure, kPa at 20 °C: 1
Viscosity
1.128 centipoise at 70 °F
XLogP3
0.7
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