Diacetone alcohol

  • 4-Hydroxy-4-methyl-2-pentanone
  • 4-Hydroxy-2-keto-4-methylpentane
  • 3-Hydroxy-4-methylpentan-2-one
  • 2-Methyl-2-pentanol-4-one
  • Pyranton
Formula
(CH3)2C(OH)CH2COCH3
Structure
Description
Clear, colorless liquid that turns yellow on agng. It has a pleasant, sweet odorthat is faint minty.
Uses
Intermediate in synthesis of mesityl oxide, hexalene glycol and other organic chemicals.

Registry Numbers and Inventories.
CAS
123-42-2
EC (EINECS/ELINCS)
204-626-7
EC Index Number
603-016-00-1
EC Class
Irritant
RTECS
SA9100000
RTECS class
Human Data; Primary Irritant
UN (DOT)
1148
Merck
13,2983
Beilstein/Gmelin
1740440
Beilstein Reference
4-01-00-04023
EPA OPP
33901
Swiss Giftliste 1
G-1486
Canada DSL/NDSL
DSL
US TSCA
Listed
Austrailia AICS
Listed
New Zealand
Listed
Japan ENCS (MITI)
Listed
Korea ECL
Listed

Properties.
Formula
C6H12O2
Formula mass
116.16
Melting point, °C
-44
Boiling point, °C
166
Vapor pressure, mmHg
0.54 (25 C)
Vapor density (air=1)
4
Saturation Concentration
0.1% at 20 C
Evaporization number
0.14 (n-butyl acetate = 1)
Odor Threshold Odor threshold 0.28 ppm
Critical temperature
334
Critical pressure
2.6
Density
0.9555 g/cm3 (0 C)
Solubility in water
Miscible
Viscosity
2.90 cp (25 C)
Surface tension
30.9 g/s2 (17 C)
Refractive index
1.4233 (16 C)
Dielectric constant
18,5 (25 C)
Partition coefficient, pKow
-0.098
Heat of vaporization
47.1 kJ/mol
Heat of combustion
-3473 kJ/mol

Hazards and Protection.
Storage
Keep away from heat, sparks, and flame. Keep away from heat and flame. Keep away from sources of ignition. Keep from contact with oxidizing materials. Store in a cool, dry, well-ventilated area away from incompatible substances.
B3 D2B
Handling
Wash thoroughly after handling. Use only in a well ventilated area. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid contact with heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Protection
Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure.
Respirators
A full facepiece respirator with organic vapor cartridge may be worn up to 50 times the exposure limit or the maximum use concentration specified by the appropriate regulatory agency or respirator supplier, whichever is lowest. For emergencies or instances where the exposure levels are not known, use a full-facepiece positive-pressure, air-supplied respirator.
Small spills/leaks
Absorb spill with inert material, (e.g., dry sand or earth), then place into a chemical waste container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, using the appropriate protective equipment. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation.
Disposal code
1
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Incompatibilities
Oxidizing agents, reducing agents, amines, alkanol, amines, aluminum, alkalis, pyridines, ammonia, isocyanates, inorganic acids and bases.
Decomposition
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.

Fire.
Flash Point,°C
56
Autoignition, °C
603
Upper exp. limit, %
6.9
Lower exp. limit, %
1.8
Fire fighting
Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Use water spray to keep fire-exposed containers cool. Extinguishing media: Use alcohol foam, carbon dioxide, or water spray when fighting fires involving this material. In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers.
Fire potential
Combustible liquid. Moderately flammable. Combustion with moderate heating.
Hazards
Flashback along vapor trail may occur.
Combustion products
Fire may produce irritating, corrosive and/or toxic gases.
Health
1
 
Flammability
2
 
 
Reactivity
0
 

Health.
Exposure limit(s)
NIOSH REL: TWA 50 ppm (240 mg/m3) OSHA PEL: TWA 50 ppm (240 mg/m3) IDLH 1800 ppm [10%LEL]
Poison_Class
4
Exposure effects
Prolonged or repeated skin contact may cause dermatitis. May cause liver and kidney damage.
   Ingestion
Aspiration hazard. May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause liver and kidney damage. Aspiration of material into the lungs may cause chemical pneumonitis, which may be fatal. May cause headache. May cause unconsciousness. May cause central nervous system depression. May cause damage to the red blood cells.
   Inhalation
May cause respiratory tract irritation. May cause effects similar to those described for ingestion. May cause narcotic effects in high concentration. Aspiration may cause respiratory swelling and pneumonitis. Aspiration may lead to pulmonary edema.
   Skin
Causes skin irritation. May be absorbed through skin. May cause dermatitis.
   Eyes
Vapors cause eye irritation. Splashes cause severe irritation, possible corneal burns and eye damage.

First aid
 
   Ingestion
Do NOT induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
   Inhalation
Remove from exposure to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. DO NOT use mouth-to-mouth respiration. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
   Skin
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
   Eyes
Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Transport.
UN number
1148
Response guide
Hazard class
3
Packing Group
II; III
 
USCG CHRIS Code
DAA
 
20 Alcohols, Glycols
HS Code
2914 40 10
 
Std. Transport #
4909149
 
IMO Chemical Code
18
IMO Pollution Category
D