Catalog Number
ACMA00016996
Description
Isophorone appears as a clear colorless liquid, with a camphor-like odor. Less dense than water and insoluble in water. Boiling point 420°F. Flash point near 200°F. Contact irritates skin and eyes. Toxic by ingestion. Used as a solvent and in pesticides.;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Clear colourless liquid; peppermint-like odour;Colorless to white liquid with a camphor-like odor.;Colorless to white liquid with a peppermint-like odor.
IUPAC Name
3,5,5-trimethylcyclohex-2-en-1-one
Molecular Weight
138.21g/mol
Molecular Formula
C9H14O;C9H14O
Canonical SMILES
CC1=CC(=O)CC(C1)(C)C
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
InChI Key
HJOVHMDZYOCNQW-UHFFFAOYSA-N
Boiling Point
419.4 °F at 760 mm Hg (NTP, 1992);215.2 °C;215.32 °C;215 °C;419.4°F;419°F
Melting Point
18 °F (NTP, 1992);-8.1 °C;-8.1 °C;-8.1 °C;-8.1°C;-8 °C;17°F;17°F
Flash Point
184 °F (NTP, 1992);184 °F (84 °C) CLOSED CUP;84 °C c.c.;184°F;184°F
Density
0.921 at 77 °F (USCG, 1999);d2020 0.92;0.9255 @ 20 °C;Relative density (water = 1): 0.92;0.919-0.927;0.92;0.92
Solubility
0.1 to 1 mg/mL at 64° F (NTP, 1992);0.09 M;12 mg/mL at 25 °C;Soluble in ether, acetone, alcohol;Has high solvent power for vinyl resins, cellulose esters, ether, and many substances soluble with difficulty in other solvents.;In water, 12,000 mg/l @ 25 °C.;12 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 1.2;slightly soluble in water; soluble in ether and acetone;Miscible at room temperature (in ethanol);1%
Color/Form
Water-white liquid;Colorless to white-liquid.;Clear liquid
Covalently-Bonded Unit Count
1
Exact Mass
138.104465g/mol
Heat of Vaporization
43.4 kJ/mol
Log P
1.7 (LogP);1.70;log Kow = 1.70;1.70;1.67
MeSH Entry Terms
diisophorone;isophorone
Monoisotopic Mass
138.104465g/mol
Odor
Peppermint-like odor;Camphor-like
Other Experimental
PERCENT IN SATURATED AIR: 0.06;CONVERSION FACTORS: 1 PPM= 5.65 MG/CU M; 1 MG/L= 177 PPM;Bulk density: 7.7 lb/gal @ 20 °C;1 mg/cu m = 0.18 ppm; 1 ppm = 5.65 mg/cu m
Refractive Index
n20D 1.4759;Index of refraction: 1.4766 @ 18 °C/D;1.474-1.481
Vapor Density
4.77 (NTP, 1992) (Relative to Air);4.77 (Air= 1);Relative vapor density (air = 1): 4.8;4.77
Vapor Pressure
0.2 mm Hg at 68 °F ; 1 mm Hg at 100° F (NTP, 1992);0.44 mmHg;0.438 mm Hg @ 25 °C;Vapor pressure, Pa at 20 °C: 40;0.3 mmHg;0.3 mmHg
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