Hexane-2,5-dione

Hexane-2,5-dione
Names
	Preferred IUPAC name Hexane-2,5-dione
	Other names 1,2-Diacetylethane; 'α','β'-Diacetylethane; Acetonyl acetone; Diacetonyl; 2,5-Dioxohexane; 2,5-Diketohexane; 2,5-Hexanedione
Identifiers
CAS Number	110-13-4 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:85014 ;
ChemSpider	7744 ;
ECHA InfoCard	100.003.400
EC Number	203-738-3;
PubChem CID	8035;
RTECS number	MO3150000;
UNII	C0Z8884J3P ;
UN number	1224
CompTox Dashboard (EPA)	DTXSID8030138 ;
	InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 Key: OJVAMHKKJGICOG-UHFFFAOYSA-N ; InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 Key: OJVAMHKKJGICOG-UHFFFAOYAH;
	SMILES O=C(C)CCC(=O)C;
Properties
Chemical formula	C6H10O2
Molar mass	114.1438 g mol−1
Appearance	colorless liquid
Density	0.973 g cm−3, liquid
Melting point	−5.5 °C (22.1 °F; 267.6 K)
Boiling point	191.4 °C (376.5 °F; 464.5 K)
Solubility in water	≥ 10 g/100 mL (22 °C)
Magnetic susceptibility (χ)	−62.51·10−6 cm3/mol
Structure
Molecular shape	trigonal planar at carbonyl; tetrahedral elsewhere
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H373
Precautionary statements	P260, P264, P280, P302+P352, P305+P351+P338, P314, P321, P332+P313, P337+P313, P362, P501
Flash point	78 °C (172 °F; 351 K)
Related compounds
Related diketones	acetylacetone
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

2,5-Hexanedione (Acetonylacetone) is an aliphatic diketone. It is a colorless liquid. In humans, it is a toxic metabolite of hexane and of 2-hexanone.

Names

Preferred IUPAC name Hexane-2,5-dione
Other names 1,2-Diacetylethane 'α','β'-Diacetylethane Acetonyl acetone Diacetonyl 2,5-Dioxohexane 2,5-Diketohexane 2,5-Hexanedione
Identifiers
CAS Number	110-13-4^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:85014^N
ChemSpider	7744^Y
ECHA InfoCard	100.003.400
EC Number	203-738-3
PubChem CID	8035
RTECS number	MO3150000
UNII	C0Z8884J3P^Y
UN number	1224
CompTox Dashboard (EPA)	DTXSID8030138
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3^Y Key: OJVAMHKKJGICOG-UHFFFAOYSA-N^Y InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 Key: OJVAMHKKJGICOG-UHFFFAOYAH
SMILES O=C(C)CCC(=O)C
Properties
Chemical formula	C₆H₁₀O₂
Molar mass	114.1438 g mol⁻¹
Appearance	colorless liquid
Density	0.973 g cm⁻³, liquid
Melting point	−5.5 °C (22.1 °F; 267.6 K)
Boiling point	191.4 °C (376.5 °F; 464.5 K)
Solubility in water	≥ 10 g/100 mL (22 °C)
Magnetic susceptibility (χ)	−62.51·10⁻⁶ cm³/mol
Structure
Molecular shape	trigonal planar at carbonyl tetrahedral elsewhere
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H373
Precautionary statements	P260, P264, P280, P302+P352, P305+P351+P338, P314, P321, P332+P313, P337+P313, P362, P501
Flash point	78 °C (172 °F; 351 K)
Related compounds
Related diketones	acetylacetone
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references