Triacetaldehyde - Materials / Alfa Chemistry

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Triacetaldehyde

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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

Color/Form

COLORLESS, TRANSPARENT LIQUID

Complexity

63.3

Corrosivity

... Has solvent /like/ action upon rubber, polystyrene, & styrene-acrylonitrile copolymer

Covalently-Bonded Unit Count

EC Number

204-639-8

Exact Mass

132.078644g/mol

Formal Charge

Heat of Vaporization

75 cal/g (latent heat of vaporization)

Heavy Atom Count

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

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

MSDS

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