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Chemical Properties

CAS Registry Number: 108-21-4

Selected information from two of the National Library of Medicine's databases: ChemIDPlus2 and HSDB3.

Names 1

  • Acetic Acid, 1-Methylethyl Ester (9ci)
  • Isopropyl acetate

Structure

Chemical Structure for Chemical Abstracts Service Registry Number 108-21-4 from NLM

Synonyms (Sources: NTP,HSDB,RTECS,MESH)2

  • 2-Acetoxypropane
  • 2-Propyl acetate
  • 4-02-00-00141 (Beilstein Handbook Reference)
  • Acetate d'isopropyle [French]
  • Acetic acid, 1-methylethyl ester
  • Acetic acid, isopropyl ester
  • BRN 1740761
  • HSDB 159
  • Isopropile (acetato di) [Italian]
  • Isopropyl (acetate d') [French]
  • Isopropylacetaat [Dutch]
  • Isopropylacetat [German]
  • Isopropyle (acetate d') [French]
  • Isopropylester kyseliny octove [Czech]
  • Paracetat

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Other Registry Numbers2

  • None Found

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Chemical Properties3

Property Description
Boiling Point
  • 88.6 DEG C @ 760 MM HG
Color/Form
  • Colorless liquid.
  • Water-white liquid
Corrosivity
  • None Found
Critical Temperature & Pressure
  • Critical Temp: 265 deg C; Critical Pressure: 36 atm
Density/Specific Gravity
  • 0.8718 @ 20 DEG C/4 DEG C
Dissociation Constants
  • None Found
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
Melting Point
  • -73.4 DEG C
Molecular Weight
  • 102.13
Odor
  • ... Fruity odor.
  • Aromatic
  • Pleasant-odored
  • Quality: sweet, ester; hedonic tone: pleasant to unpleasant
Other Chemical/Physical Properties
  • DENSITY OF SATURATED AIR: 1.24 (AIR= 1); CONVERSION FACTORS: 1 MG/L= 240 PPM; 1 PPM= 4.17 MG/CU M
  • Henry's Law constant = 2.78X10-4 atm cu-m/mol at 25 deg C
  • Hydroxyl radical rate constant = 3.40X10-12 cu-cm/molc sec @ 25 deg C
  • Ratio of Specific Heats of Vapor (Gas): (est) 1.074
  • SPECIFIC HEAT: 0.46 CAL/G; BULK DENSITY: 7.17 LB/GAL @ 20 DEG C; HEAT OF VAPORIZATION: 135 BTU/LB
Relative Evaporation Rate
  • None Found
Solubilities
  • In water, 2.90X10+4 mg/l at 25 deg C
  • Miscible with most of the common organic solvents: alcohols, ketones, esters, oils, hydrocarbons
  • SOL IN ACETONE, ETHANOL; MISCIBLE IN ETHYL ETHER
Spectral Properties
  • INDEX OF REFRACTION: 1.3773 @ 20 DEG C; SADTLER REFERENCE NUMBER: 1473 (IR, PRISM); 99 (UV)
  • IR: 10939 (Sadtler Research Laboratories IR Grating Collection)
  • MASS: 277 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
  • NMR: 14814 (Sadtler Research Laboratories Spectral Collection)
  • UV: 7-51 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
Surface Tension
  • 26 dynes/cm= 0.026 N/m @ 20 deg C
Taste
  • ON DILUTION A SWEET APPLE-LIKE FLAVOR
Vapor Density
  • 3.52 (Air= 1)
Vapor Pressure
  • 60.37 mm Hg @ 25 deg C
Viscosity
  • 0.49 CENTIPOISE @ 25 DEG C
log P (octanol-water)
  • log Kow = 1.02
pH
  • None Found

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Uses3

  • SOLVENT FOR CELLULOSE DERIVATIVES, PLASTICS, OILS, AND FATS; IN PERFUMERY **PEER REVIEWED**
  • SOLVENT FOR GUMS & RESINS; PARTLY FOR SHELLAC; CHIEFLY IN LACQUER INDUST **PEER REVIEWED**
  • SYNTHETIC FLAVORING INGREDIENT **PEER REVIEWED**
  • Solvent for nitrocellulose, resin gums, etc.; paints, lacquers, and printing inks; organic synthesis, perfumery. **PEER REVIEWED**
  • Solvent in insecticide formulations **PEER REVIEWED**
  • Used in the lacquer industry where its slow evaporation rate and blush resistance are of importance; used in the manufacture of plastics, artificial leather, dopes, films, cements, and in the recovery of acetic acid from aqueous solutions; solvent for nitrocellulose, cellulose acetate (of low viscosity), and a wide range of oils, fats, waxes, gums and natural and synthetic resins. **PEER REVIEWED**

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Notes (Sources: NTP,HSDB,RTECS,MESH)2

  • Cholesterol gallstone solvent.

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Superlist Classes2

  • TWA (100 ppm); STEL (200 ppm)
  • TWA 250 ppm (950 mg/m3)

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Links to Additional Information2

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Footnotes

1 Source: the NTP's CEBS database.

2 Source: the National Library of Medicine's ChemIDPlus, 02/28/2017.

3 Source: the National Library of Medicine's Hazardous Substance Database, 02/28/2017.

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