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Diacetone Alcohol CAS 123-42-2

Introduction

Products name : Diacetone Alcohol
CAS NO. : 123-42-2
Molecular Formula: C6H12O2
Structural formula:
Use: Pharmaceutical intermediates, paint solvents
Rules: ≥99%

123-42-2 – Names and Identifiers

Name 4-Hydroxy-4-methyl-2-pentanone
Synonyms Tyranton
Diacetone
Diketone Alcohol
Diacetone alcohol
Diaectone alcohol
TIMTEC-BB SBB009084
(CH3)2C(OH)CH2C(O)CH3
Acetonyldimethylcarbinol
2-methyl-2-pentanol-4-one
2-Methylpentan-2-ol-4-one
2-Methyl-3-pentanol-4-one
4-hydroxy-4-methylpentan-2-one
4-Hydroxy-4-methyl-2-pentanone
4-Methyl-4-Hydroxy-2-pentanone
2-Hydroxy-2-methyl-4-pentanone
2-Pentanone, 4-hydroxy-4-methyl-
4-Hydroxy-2-keto-4-methylpentane
Diacetone Alcohol 〔4-Hydroxy-4-methyl-2-pentanone〕
CAS 123-42-2
EINECS 204-626-7
InChI InChI:1S/C6H12O2/c,3)8/h8H,4H2,1-3H3

123-42-2 – Physico-chemical Properties

Molecular Formula C6H12O2
Molar Mass 116.16
Density 0.938 g/mL at 20 °C
Melting Point -42.8 °C
Boling Point 166°C(lit.)
Flash Point 132°F
Water Solubility MISCIBLE
Solubility Soluble in alcohol, ether (Weast, 1986), and many other solvents, particular ketones such asacetone and 2-butanone.
Vapor Presure <1 mm Hg ( 20 °C)
Vapor Density 4 (vs air)
Appearance Liquid
Color Clear colorless
Odor Mild, pleasant.
Exposure Limit TLV-TWA 240 mg/m3 (50 ppm) (ACGIH);IDLH 2100 ppm (NIOSH).
Maximum wavelength(λmax) [‘249nm(lit.)’]
Merck 14,2964
BRN 1740440
pKa 14.57±0.29(Predicted)
Storage Condition Store below +30°C.
Stability Stable. Flammable. Incompatible with strong oxidizing agents, amines, ammonia, strong acids, strong bases, alkalies, aluminium.
Explosive Limit 1.8-6.9%(V)
Refractive Index n20/D 1.423(lit.)
Physical and Chemical Properties Colorless flammable liquid with pleasant odor.
melting point -44 ℃
boiling point 164 ℃
relative density 0.9387
refractive index 1.4213
flash point 12.7 ℃
, halogenated hydrocarbons, ethers and water miscible.
Use Used as high boiling point solvent, paint thinner, Wood colorant, rust remover and dye raw materials

123-42-2 – Risk and Safety

Hazard Symbols Xi – Irritant
Risk Codes R36 – Irritating to the eyes
Safety Description S24/25 – Avoid contact with skin and eyes.
UN IDs UN 1148 3/PG 3
WGK Germany 1
RTECS SA9100000
FLUKA BRAND F CODES 9
TSCA Yes
HS Code 2914 40 10
Hazard Class 3
Packing Group III
Toxicity LD50 orally in rats: 4.0 g/kg (Smyth)

123-42-2 – Upstream Downstream Industry

Raw Materials Phthalic anhydride
Acetone
Downstream Products Mesityl oxide, mixture of alpha- and beta-isomers

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