2,4-Pentanedione | CAS No. 123-54-6

2,4-Pentanedione

Basic Information

CAS Number

123-54-6

Molecular Formula

C5H8O2

Molecular Weight

100.12 g/mol

AD

Basic Physical Properties

Melting Point

−23 °C

Boiling Point

140.4 °C

Water Solubility

16 g/100 mL (20 ºC)

Solubility

H2O: soluble1 in 8 parts

Refractive Index

n20/D 1.452(lit.)

Vapor Pressure

6 mmHg ( 20 °C)

CC(=O)CC(=O)C

InChI

InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3

InChIKey

YRKCREAYFQTBPV-UHFFFAOYSA-N

LogP

0.5545

pKa

8.9(at 25℃)

Topological Polar Surface Area

34.14 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

82.3

Safety Information

View Safety Information

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids
H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 3 Class 3

Sensitiveness

photoensitive

Explosive Limit

2.4-11.4%(V)

Toxicity

LC50 (4 hrs) in rats: 1000 ppm (Carpenter)

Synonyms & References

English

  • 2,4-Pentanedione
  • TIMTEC-BB SBB009914
  • PENTAN-2,3-DIONE
  • PENTANE-2.3-DIONE
  • 2,4-Diketopentane
  • 2,4-Dioxopentane
  • 2,4-Pentandione
  • 2-Propanone, acetyl-
  • Acetoacetone
  • Acetylacetone
  • ACETYLACETONE , SYNTHESIS
  • ACAC
  • acetyl
  • acetyl-aceton
  • Acetylactone
  • Acetylaeetone
  • Axetacetone
  • CH3COCH2COCH3
  • Diacetylmethane
  • FEMA 2841
  • MeC(O)CH2C(O)Me
  • pentan-2,4-dione
  • Pentane-2,4-dione
  • Pentanedione
  • AcAc
  • ACETYLACETONE
  • pentane-2,4-dione

MDL Number

MFCD00008787

Customs Code

2914190090

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