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Isopropyl Acetate

Catalog Number
ACMA00014330
Product Name
Isopropyl Acetate
Category
Glass Additives
Description
Isopropyl acetate appears as a clear colorless liquid. Flash point 40°F. Vapors are heavier than air. Contact with the material may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used as a solvent.;Liquid;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless, mobile liquid with a characteristic odour;Colorless liquid with a fruity odor.;Colorless liquid with a fruity odor.
IUPAC Name
propan-2-yl acetate
Molecular Weight
102.13g/mol
Molecular Formula
C5H10O2;(CH3)2CHCOOCH3;C5H10O2
Canonical SMILES
CC(C)OC(=O)C
InChI
InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
InChI Key
JMMWKPVZQRWMSS-UHFFFAOYSA-N
Boiling Point
190 to 196 °F at 743.3 mm Hg (NTP, 1992);88.6 °C;88.6 °C @ 760 MM HG;89 °C;194°F;194°F
Melting Point
-100.1 °F (NTP, 1992);-73.4 °C;-73.4 °C;-73.4 °C;-73.4°C;-73 °C;-100.1°F;-92°F
Flash Point
36 °F (NTP, 1992);2 °C (CLOSED CUP);2 °C c.c.;36°F;36°F
Density
0.874 at 68 °F (USCG, 1999);0.8718 @ 20 °C/4 °C;Relative density (water = 1): 0.88;0.856-0.862 (20?°);0.874;0.87
Solubility
1 to 10 mg/mL at 68° F (NTP, 1992);0.30 M;30.9 mg/mL at 20 °C;SOL IN ACETONE, ETHANOL; MISCIBLE IN ETHYL ETHER;In water, 2.90X10+4 mg/l at 25 °C;Miscible with most of the common organic solvents: alcohols, ketones, esters, oils, hydrocarbons;30.9 mg/mL at 20 °C;Solubility in water, g/100ml at 20 °C: 31 (poor);miscible with alcohol, ether and fixed oils; slightly soluble in water;3%
Color/Form
Water-white liquid;Colorless liquid.
Complexity
66.5
Covalently-Bonded Unit Count
1
EC Number
203-561-1
Exact Mass
102.06808g/mol
Formal Charge
0
Heat of Vaporization
150 Btu/lb= 81 cal/g= 3.4X10+5 J/kg
Heavy Atom Count
7
ICSC Number
0907
Log P
log Kow = 1.02;1.02
MeSH Entry Terms
acetic acid 1-methylethyl ester;isopropyl acetate
Monoisotopic Mass
102.06808g/mol
NSC Number
9295
Odor
Aromatic;... Fruity odor.;Quality: sweet, ester; hedonic tone: pleasant to unpleasant;Pleasant-odored
Other Experimental
DENSITY OF SATURATED AIR: 1.24 (AIR= 1); CONVERSION FACTORS: 1 MG/L= 240 PPM; 1 PPM= 4.17 MG/CU M;SPECIFIC HEAT: 0.46 CAL/G; BULK DENSITY: 7.17 LB/GAL @ 20 °C; HEAT OF VAPORIZATION: 135 BTU/LB;Ratio of Specific Heats of Vapor (Gas): (est) 1.074;Henry's Law constant = 2.78X10-4 atm cu-m/mol at 25 °C;Hydroxyl radical rate constant = 3.40X10-12 cu-cm/molc sec @ 25 °C
Refractive Index
INDEX OF REFRACTION: 1.3773 @ 20 °C; SADTLER REFERENCE NUMBER: 1473 (IR, PRISM); 99 (UV);1.377
Rotatable Bond Count
2
RTECS Number
AI4930000
UNII
1Y67AFK870
UN Number
1220;1220;1220;1220;1220
Vapor Density
3.5 (NTP, 1992) (Relative to Air);3.52 (Air= 1);Relative vapor density (air = 1): 3.5;3.5
Vapor Pressure
1 mm Hg at -36.9 °F ; 100 mm Hg at 96.3° F; 760 mm Hg at 192.2° F (NTP, 1992);60.37 mmHg;60.37 mm Hg @ 25 °C;Vapor pressure, kPa at 17 °C: 5.3;1 mmHg at -36.9°F, 100 mmHg at 96.3°F, 760 mmHg at 192.2°F;42 mmHg
Viscosity
0.49 CENTIPOISE @ 25 °C
XLogP3
0.9
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