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Acetylacetone, C5H8O2

Pentane-2,4-dione appears as a colorless or yellow colored liquid. Less dense than water. Vapors are heavier than air. Used as…

CAS Number
123-54-6
Molecular Formula
C5H8O2
Chemical Name:
Acetylacetone, 2,4-Pentanedione
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Molecular Formula C5H8O2
Chemical Name Acetylacetone, 2,4-Pentanedione

Pentane-2,4-dione appears as a colorless or yellow colored liquid. Less dense than water. Vapors are heavier than air. Used as…

Description

Pentane-2,4-dione appears as a colorless or yellow colored liquid. Less dense than water. Vapors are heavier than air. Used as a solvent in paints and varnishes.

Acetylacetone is a beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. It is a conjugate acid of an acetylacetonate.

C5H8O2

CH3COCH2COCH3

C5H8O2

CH3COCH2COCH3

Properties

Property Value
Molecular Weight (g/mol) 100.12
SMILES Notation CC(=O)CC(=O)C
InChI String InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChI Key YRKCREAYFQTBPV-UHFFFAOYSA-N
IUPAC Name pentane-2,4-dione
LogP (Partition Coefficient) 0.4
Exact Mass (g/mol) 100.052429494
Monoisotopic Mass (g/mol) 100.052429494
Topological Polar Surface Area (Ų) 34.1
Molecular Complexity 82
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Heavy Atom Count 7
Synonyms Acetylacetone,
2,4-Pentanedione,
Pentane-2,4-dione,
123-54-6,
Acetoacetone,
ACAC,
2,4-Dioxopentane,
Diacetylmethane,
2,4-Pentadione,
ACETYL ACETONE,
Pentanedione,
Pentan-2,4-dione,
Pentanedione-2,4,
Acetyl 2-propanone,
Acetone, acetyl-,
Hacac,
2-Propanone, acetyl-,
2,4-Pentandione,
NSC 5575,
acetylaceton,
CCRIS 3466,
acetyl-acetone,
HSDB 2064,
EINECS 204-634-0,
4-Hydroxy-3-penten-2-one,
UNII-46R950BP4J,
BRN 0741937,
CH3-CO-CH2-CO-CH3,
DTXSID4021979,
CHEBI:14750,
AI3-02266,
46R950BP4J,
ACETYLACETONE ENOL,
CH3COCH2COCH3,
NSC-5575,
MFCD00008787,
DTXCID601979,
EC 204-634-0,
4-01-00-03662 (Beilstein Handbook Reference),
14024-62-5,
UN2310,
Acetylaceetone,
81235-32-7,
pentane-2,
pentan-2,
acetylacetone (2,4-pentanedione),
2,4 pentanedione,
2.4-pentanedione,
pentane2,4-dione,
Acetyl-2-Propanone,
Acetyl-2-propaneone,
2,4-pentane-dione,
ACETYLACETONE [MI],
1-methylbutane-1,3-dione,
SCHEMBL1608,
NCIOpen2_000702,
Pentane-2,4-dione [UN2310] [Flammable liquid],
ACETYL ACETONE [HSDB],
CHEMBL191625,
WLN: 1V1V1,
Acetylacetone;Pentane-2,4-dione,
BDBM22766,
NSC5575,
Acetylacetone, analytical standard,
BCP31333,
STR00020,
Tox21_200414,
LMFA12000075,
AKOS000118994,
FP35056,
UN 2310,
Acetylacetone, ReagentPlus(R), >=99%,
NCGC00248599-01,
NCGC00257968-01,
BP-30252,
CAS-123-54-6,
PD193123,
Acetylacetone, JIS special grade, >=99%,
DB-020012,
DB-318551,
DS-002710,
NS00007112,
P0052,
EN300-19143,
Q413447,
Pentane-2,4-dione [UN2310] [Flammable liquid],
F1908-0168,
InChI=1/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H,
Acetylacetone, produced by Wacker Chemie AG, Burghausen, Germany, >=99.5% (GC)

Shipping Information

Special Handling Required
This product requires special packaging and shipping due to its toxic nature.
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  • Proper hazardous material labeling included
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