Diacetone Alcohol
Structural Formula Vector Image
Title: Diacetone Alcohol
CAS Registry Number: 123-42-2
CAS Name: 4-Hydroxy-4-methyl-2-pentanone
Trademarks: Pyranton
Molecular Formula: C6H12O2
Molecular Weight: 116.16
Percent Composition: C 62.04%, H 10.41%, O 27.55%
Line Formula: (CH3)2C(OH)CH2COCH3
Literature References: Prepd by the action of barium hydroxide or of calcium hydroxide on acetone: Conant, Tuttle, Org. Synth. vol. 1, p 45 (1921); coll. vol. I, 193; cf. Jacquemain, Compt. Rend. 196, 1622 (1933). Industrial process using KOH and acetone: Schmitt, Disteldorf, DE 1052970 (1959 to Hibernia). Toxicity study: Smyth, Carpenter, J. Ind. Hyg. Toxicol. 30, 63 (1948).
Properties: Flammable liq; faint, pleasant odor. d425 0.9306 (0.940 for tech grades). bp760 167.9°. bp100 108.2°. bp20 72.0°. bp10 58.8°. bp1.0 22.0°. mp -44°; nD20 1.4232: Lantz, J. Am. Chem. Soc. 62, 3260 (1940). Flash pt reagent grade: 66°C (151°F). Flash pt commercial grades: 8°C (48°F) (closed cup); 13°C (55°F) (open cup). Vapor density 4.00 (air = 1.00). Miscible with water, alcohol, ether, and other solvents. Is dec by prolonged exposure to alkalies and by distillation at atmospheric pressure. LD50 orally in rats: 4.0 g/kg (Smyth).
Melting point: mp -44°
Boiling point: bp760 167.9°; bp100 108.2°; bp20 72.0°; bp10 58.8°; bp1.0 22.0°
Flash point: Flash pt reagent grade: 66°C (151°F); Flash pt commercial grades: 8°C (48°F) (closed cup); 13°C (55°F) (open cup)
Index of refraction: nD20 1.4232: Lantz, J. Am. Chem. Soc. 62, 3260 (1940)
Density: d425 0.9306 (0.940 for tech grades); Vapor density 4.00 (air = 1.00)
Toxicity data: LD50 orally in rats: 4.0 g/kg (Smyth)
CAUTION: Potential symptoms of overexposure are irritation of eyes, nose, throat and skin; corneal damage. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 90.
Use: Solvent for cellulose acetate, nitrocellulose, celluloid, fats, oils, waxes, resins. As a preservative in pharmaceutical prepns. In some antifreeze solns and in hydraulic fluids.

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