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123-54-6

Name 2,4-Pentanedione
CAS 123-54-6
EINECS(EC#) 209-984-8
Molecular Formula C5H8O2
MDL Number MFCD00008787
Molecular Weight 100.12
MOL File 123-54-6.mol

Chemical Properties

Description
Acetylacetone (2,4-pentanedione) is a clear or slightly yellowish liquid with a putrid odour. It is readily soluble in water and in organic solvents and incompatible with light, ignition sources, excess heat, oxidising agents, strong reducing agents, and strong bases. On decomposition, acetylacetone releases hazardous products such as carbon monoxide, irritating and toxic fumes and gases, and carbon dioxide. Acetylacetone is used in the production of anti-corrosion agents and its peroxide compounds for the radical initiator application for polymerisation. It is used as a chemical intermediate for drugs (such as sulphamethazine, nicarbazine, vitamin B6, and vitamin K) and pesticides sulfonylurea herbicides and pesticides. It is used as an indicator for the complexometric titration of Fe (III), for the modification of guanidino groups and amino groups in proteins, and for the preparation of metal acetylacetonates for catalyst application.
Appearance 2,4-Pentanedione is a colorless to yellowish liquid with a sour, rancid odor. The Odor Threshold is 0.01 ppm.
Melting point  -23 °C (lit.)
Boiling point  140.4 °C (lit.)
density  0.975 g/mL at 25 °C(lit.)
vapor density  3.5 (vs air)
vapor pressure  6 mm Hg ( 20 °C)
refractive index  n20/D 1.452(lit.)
Fp  66 °F
storage temp.  2-8°C
solubility  H2O: soluble1 in 8 parts
form  Liquid
pka 8.9(at 25℃)
color  very deep green-yellow
Odor pleasant odor
PH 6 (200g/l, H2O, 20℃)
Relative polarity 0.571
explosive limit 2.4-11.4%(V)
Water Solubility  16 g/100 mL (20 ºC)
Merck  14,81
BRN  741937
Exposure limits No exposure limit has been set.
InChIKey YRKCREAYFQTBPV-UHFFFAOYSA-N
CAS DataBase Reference 123-54-6(CAS DataBase Reference)
NIST Chemistry Reference Acetylacetone(123-54-6)
EPA Substance Registry System 123-54-6(EPA Substance)

Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R11:Highly Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R10:Flammable.
Safety Statements 
S21:When using, do not smoke .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  UN 2310 3/PG 3
WGK Germany  1
RTECS  SA1925000
9-23
Autoignition Temperature 662 °F
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29141900
storage Acetylacetone should be stored away from heat, sparks, flame, and from sources of ignition. It should be stored in a tightly sealed container, in a cool, dry, well-ventilated area, away from incompatible substances.
Precautions Occupational workers should only use/handle acetyl acetone in a well-ventilated area, with spark-proof tools and explosion-proof equipment. Workers should not cut, weld, braze, solder, drill, grind, pressurize, or expose empty containers to heat, sparks, or flames.
Safety Profile
Poison by ingestion and intraperitoneal routes. Moderately toxic by inhalation. A skin and severe eye irritant. Experimental reproductive effects. Mutation data reported. Flammable liquid when exposed to heat or flame. Incompatible with oxidning materials. To fight fire, use alcohol foam, CO2, dry chemical.
Hazardous Substances Data 123-54-6(Hazardous Substances Data)
Toxicity
LC50 (4 hrs) in rats: 1000 ppm (Carpenter)

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