3,4-Hexanedione

Molecular Structure of 3,4-Hexanedione (CAS NO.4437-51-8):

IUPAC Name: Hexane-3,4-dione
Canonical SMILES: CCC(=O)C(=O)CC
InChI: InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3
InChIKey: KVFQMAZOBTXCAZ-UHFFFAOYSA-N
Molecular Weight: 114.1424 [g/mol]
Molecular Formula: C₆H₁₀O₂
XLogP3-AA: 0.5
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 224-651-7 
storage temp.: Freezer
Water Solubility: 127 g/L (20 ºC) 
Index of Refraction: 1.405
Molar Refractivity: 29.9 cm³
Molar Volume: 121.8 cm³
Surface Tension: 28.3 dyne/cm
Density: 0.936 g/cm³
Flash Point: 32.8 °C
Enthalpy of Vaporization: 36.77 kJ/mol
Boiling Point: 130 °C at 760 mmHg
Vapour Pressure: 9.91 mmHg at 25 °C
Appearance: clear yellow liquid
Melting Point: -10 °C
Product Categories: Industrial / Fine Chemicals; Organics; ketone Flavor; C3 to C6; Carbonyl Compounds; Ketones; Alphabetical Listings; Flavors and Fragrances; G-H

Safety Information of 3,4-Hexanedione (CAS NO.4437-51-8):
Hazard Codes: Xn
Risk Statements: 10-36/38-20 
R10:Flammable. 
R36/38:Irritating to eyes and skin. 
R20:Harmful by inhalation.
Safety Statements: 23-24/25-37/39-26-16 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S16:Keep away from sources of ignition.
RIDADR: UN 1224 3/PG 3
WGK Germany: 1
HazardClass: 3
PackingGroup: III

 3,4-Hexanedione (CAS NO.4437-51-8), its Synonyms are Bipropionyl ; CCRIS 6295 ; Diethyl diketone ; Dipropionyl .