NAVIGATION


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%
Application
Isopropyl acetate serves a diverse range of purposes, primarily as a highly effective solvent in the chemical industry. With its potent, fruity aroma and sweet apple-like flavor, it finds extensive use in various industrial and organic syntheses. Notably, it dissolves nitrocellulose, plastics, oils, and fats, making it an essential component in many manufacturing processes. Isopropyl acetate is also employed as a flavoring agent and contributes to the formulation of perfumes and printing inks due to its distinctive scent. It is important in the preparation of essential products such as antibiotics, vitamins, and hormones. Furthermore, isopropyl acetate assists in the dissolution of gallstones and enhances ruminal fermentation and feed digestion in cattle, showcasing its versatile applications across multiple fields.
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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