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CAS 78-59-1 chemical formula,CAS 78-59-1 MSDS,CAS 78-59-1 chemical properties

CAS Number 78-59-1
chem name Isophorone
formula C9H14O
synonyms 3,5,5-Trimethyl-2-cyclohexen-1-one;3,5,5-Trimethyl-2-cyclohexene-1-one;3,5,5-Trimethyl-2-cyclohexenone;Isoacetophorone;Isoforon;Isophoron;NSC 403657;NSC 4881;a-Isophoron;a-Isophorone;iso-phorone;2-Cyclohexen-1-one,3,5,5-trimethyl-;1,1,3-Trimethyl-3-cyclohexene-5-one;1,5,5-Trimethyl-3-oxocyclohexene;1-Cyclohexen-3-one, 1,5,5-trimethyl-;

CAS Number 78-59-1 properties (MSDS)


Molecular Structure of Isophorone (CAS NO.78-59-1):

IUPAC Name: 3,5,5-Trimethylcyclohex-2-en-1-one
Molecular Weight: 138.20686 [g/mol]
Molecular Formula: C9H14O
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 1 
Index of Refraction: 1.455
Molar Refractivity: 41.43 cm3
Molar Volume: 152.6 cm3
Surface Tension: 26.4 dyne/cm
Density: 0.905 g/cm3
Flash Point: 84.4 °C
Enthalpy of Vaporization: 45.15 kJ/mol
Boiling Point: 215.2 °C at 760 mmHg
Vapour Pressure: 0.15 mmHg at 25 °C
Appearance: light yellow liquid
Melting Point: −8 °C(lit.)
storage temp.: 2-8 °C
Stability: Stable. Substances to be avoided include strong bases, strong acids and strong oxidizing agents.
Classification Code: Human Data; Mutation data; Skin / Eye Irritant; TSCA Flag T [Subject to the Section 4 test rule under TSCA]; Tumor data