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Substance Name: Isopropyl acetate
RN: 108-21-4
UNII: 1Y67AFK870
InChIKey: JMMWKPVZQRWMSS-UHFFFAOYSA-N

Note

  • Cholesterol gallstone solvent.

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 

Classification Codes

Classification Codes

  • Human Data
  • Skin / Eye Irritant

Superlist Classification Codes

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

Name of Substance

  • 1-Methylethyl acetate
  • Acetic acid, 1-methylethyl ester
  • Isopropyl acetate

Synonyms

  • 1-Methylethyl acetate
  • 2-Acetoxypropane
  • 2-Propyl acetate
  • 4-02-00-00141 (Beilstein Handbook Reference)
  • Acetate d'isopropyle
  • Acetate d'isopropyle [French]
  • Acetic acid, 1-methylethyl ester
  • Acetic acid, isopropyl ester
  • BRN 1740761
  • CCRIS 6053
  • EC 203-561-1
  • EINECS 203-561-1
  • FEMA No. 2926
  • HSDB 159
  • Isopropile (acetato di)
  • Isopropile (acetato di) [Italian]
  • Isopropyl (acetate d')
  • Isopropyl (acetate d') [French]
  • Isopropyl acetate
  • Isopropyl ethanoate
  • Isopropylacetaat
  • Isopropylacetaat [Dutch]
  • Isopropylacetat
  • Isopropylacetat [German]
  • Isopropyle (acetate d')
  • Isopropyle (acetate d') [French]
  • Isopropylester kyseliny octove
  • Isopropylester kyseliny octove [Czech]
  • NSC 9295
  • Paracetat
  • UNII-1Y67AFK870

Systematic Names

  • Acetic acid, 1-methylethyl ester
  • Acetic acid, isopropyl ester
  • Isopropyl acetate

Superlist Names

  • Acetic acid, 1-methylethyl ester
  • Acetic acid, isopropyl ester
  • Isopropyl acetate
  • Isopropyl acetate [UN1220] [Flammable liquid]
  • UN1220

Registry Numbers

CAS Registry Number

  • 108-21-4

FDA UNII

  • 1Y67AFK870

System Generated Number

  • 0000108214

Structure Descriptors

InChI

InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3

InChIKey

JMMWKPVZQRWMSS-UHFFFAOYSA-N

Smiles

CC(C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 200ppm (200ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
human TCLo unreported 200ppm (200ppm) SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Journal of Industrial Hygiene and Toxicology. Vol. 28, Pg. 262, 1946.
rabbit LD50 oral 6946mg/kg (6946mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 20mL/kg (20mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LC50 inhalation 50600mg/m3/8H (50600mg/m3)   American Industrial Hygiene Association Journal. Vol. 20, Pg. 364, 1959.
rat LD intraperitoneal > 174mg/kg (174mg/kg)   Journal of Surgical Research. Vol. 53, Pg. 572, 1992.
rat LD50 oral 6750mg/kg (6750mg/kg)   Union Carbide Data Sheet. Vol. 3/24/1970,
rat LDLo intravenous 174mg/kg (174mg/kg)   Journal of Surgical Research. Vol. 53, Pg. 572, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.34E+01 deg C   EXP
Boiling Point 88.6 deg C   EXP
log P (octanol-water) 1.020 (none)   EST
Water Solubility 3.09E+04 mg/L 20 EXP
Vapor Pressure 60.4 mm Hg 25 EXP
Henry's Law Constant 2.78E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.40E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.