108-21-4
Product Name:
Isopropyl acetate
Formula:
C5H10O2
Synonyms:
Acetic acid isopropyl ester;Degassed and low oxygen isopropyl acetate;IPrOAc;Isopropyl acetate;Isopropyl acetate ZerO2
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical 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. |
|---|---|
| Color/Form | Water-white liquid |
| Odor | Aromatic |
| Taste | ON DILUTION A SWEET APPLE-LIKE FLAVOR |
| Boiling Point | 190 to 196 °F at 743.3 mmHg (NTP, 1992) |
| Melting Point | -100.1 °F (NTP, 1992) |
| Flash Point | 36 °F (NTP, 1992) |
| Solubility | 1 to 10 mg/mL at 68 °F (NTP, 1992) |
| Density | 0.874 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 3.5 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 1 mmHg at -36.9 °F ; 100 mmHg at 96.3 °F; 760 mmHg at 192.2 °F (NTP, 1992) |
| LogP | log Kow = 1.02 |
| Henry's Law Constant | Henry's Law constant = 2.78X10-4 atm cu-m/mol at 25 °C |
| Autoignition Temperature | 860 °F (USCG, 1999) |
| Viscosity | 0.49 CENTIPOISE @ 25 °C |
| Heat of Combustion | -9420 Btu/lb= -5230 cal/g= -219X10+3 J/kg |
| Heat of Vaporization | 150 Btu/lb= 81 cal/g= 3.4X10+5 J/kg |
| Surface Tension | 26 dynes/cm= 0.026 N/m @ 20 °C |
| Ionization Potential | 9.95 eV |
| Odor Threshold | Odor Threshold Low: 0.5 [mmHg] Odor Threshold High: 34.0 [mmHg] Detection odor threshold from AIHA (mean = 4.1 ppm) |
| Refractive Index | INDEX OF REFRACTION: 1.3773 @ 20 °C; SADTLER REFERENCE NUMBER: 1473 (IR, PRISM); 99 (UV) |
| Kovats Retention Index | 657.1 639 639 640 646 646.8 643 643 610 625 643 643 645 644.1 648 643 642.3 650 641 648 650 645 638 644 652 650 648 648 653 |
| Other Experimental Properties | Hydroxyl radical rate constant = 3.40X10-12 cu-cm/molc sec @ 25 °C |
| Chemical Classes | Solvents -> Esters (<C12) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H319:Serious eye damage/eye irritation H336:Specific target organ toxicity,single exposure; Narcotic effects |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P370+P378:In case of fire: Use … for extinction. |
COMPUTED DESCRIPTORS
| Molecular Weight | 102.13 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 102.068079557 g/mol |
| Monoisotopic Mass | 102.068079557 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 66.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
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.