8.20560

Isopropyl acetate

for synthesis

• Synonym(s): Isopropyl acetate
• Linear Formula: CH₃COOCH(CH₃)₂
• CAS Number: 108-21-4
• Molecular Weight: 102.13
• MDL number: MFCD00008877
• UNSPSC Code: 12352108
• EC Index Number: 203-561-1
• NACRES: NA.22

Properties

• vapor pressure: 61 hPa ( 20 °C)
• Quality Level: 200
• Assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 460 °C
• potency: 6750 mg/kg LD₅₀, oral (Rat); >20000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.8-8 % (v/v)
• bp: 88-90 °C/1013 hPa
• mp: -73 °C
• transition temp: flash point 4 °C
• density: 0.87 g/cm³ at 20 °C
• storage temp.: 2-30°C
• SMILES string: O(C(C)C)C(=O)C
• InChI: 1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
• InChI key: JMMWKPVZQRWMSS-UHFFFAOYSA-N

Description

Application

Isopropyl acetate can be used as an:

• Acyl donor in stereoselective biotransformations of chiral amines.
• Alkylating agent for the isopropylation of phenols due to its easy chemisorption on the Bronsted acid sites to form alkyl cations and the release of acetic acid in the reaction that can stabilize the charged structure of phenol.

Analysis Note

Assay (GC, area%): ≥ 99 %
Density (d 20 °C/ 4 °C): 0.871 - 0.873
Identity (IR): passes test

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225 - H319 - H336
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• Target Organs: Central nervous system
• Supplementary Hazards: EUH066
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 41.0 °F
• Flash Point(C): 5 °C