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

The use of Isophorone as a solvent resulted from the search for ways to dispose of or recycle acetone, which is a waste product of phenol synthesis by the Hock method.

 Isophorone (CAS NO.78-59-1) is used as a solvent in some printing inks, paints, lacquers, adhesives, copolymers, coatings, finishings and pesticides.[2] It is also used as a chemical intermediate and as an ingredient in wood preservatives and floor sealants.

Moderately toxic by ingestion. Mildly toxic by inhalation. Human systemic effects by inhalation: olfactory changes, conjunctiva irritation, and respiratory changes. Human systemic irritant by inhalation. A skin and severe eye irritant. Questionable carcinogen with experimental carcinogenic data. Mutation data reported. Considered to be more toxic than mesityl oxide. However, due to its low volatility, it is not a dangerous industrial hazard. The response of guinea pigs and rats to repeated inhalation of the vapors indicates that it is one of the most toxic of the ketones. It is chiefly a kidney poison. It can cause irritation, lachrymation, possible opacity of the cornea, and necrosis of the cornea (experimental). It is irritating at the level of 25 ppm to humans. In animal experiments death during exposure was usually due to narcosis, but occasionally due to irritation of the lungs. Flammable and explosive when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO₂, dry chemical.
Safety Information of Isophorone (CAS NO.78-59-1):
Hazard Codes: Xn
Risk Statements: 21/22-36/37-40 
R21/22:Harmful in contact with skin and if swallowed. 
R36/37:Irritating to eyes and respiratory system. 
R40:Limited evidence of a carcinogenic effect.
Safety Statements: 13-23-36/37/39-46 
S13:Keep away from food, drink and animal foodstuffs. 
S23:Do not breathe vapour. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S46:If swallowed, seek medical advice immediately and show this container or label.
WGK Germany: 1
RTECS: GW7700000

OSHA PEL: TWA 4 ppm
ACGIH TLV: CL 5 ppm
DFG MAK: 2 ppm (11 mg/m³)
NIOSH REL: TWA (Ketones) 23 mg/m³

For occupational chemical analysis use NIOSH: Isophorone, 2508.

 Isophorone (CAS NO.78-59-1), its Synonyms are 3,5,5-Trimethyl-2-cyclohexen-1-one ; 3,5,5-Trimethyl-2-cyclohexenone ; 3,5,5-Trimetil-2-cicloesen-1-one ; 1,1,3-Trimethyl-3-cyclohexene-5-one ; 2-Cyclohexen-1-one, 3,5,5-trimethyl- ; 3,5,5-Trimethyl-2-cyclohexen-1-on ; Isoacetophorone ; Isoforon ; Isoforone .