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Substance Name: Isobutyl acetate
RN: 110-19-0
UNII: 7CR47FO6LF
InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.1588
 

Classification Codes

Classification Code

  • Skin / Eye Irritant

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (150 ppm)
  • TWA 150 ppm (700 mg/m3)
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Names and Synonyms

Name of Substance

  • 2-Methylpropyl acetate
  • Acetic acid, 2-methylpropyl ester
  • Isobutyl acetate

Synonyms

  • 2-Methyl-1-propyl acetate
  • 2-Methylpropyl acetate
  • 2-Methylpropyl ethanoate
  • 4-02-00-00149 (Beilstein Handbook Reference)
  • Acetate d'isobutyle
  • Acetate d'isobutyle [French]
  • Acetic acid, isobutyl ester
  • AI3-15305
  • beta-Methylpropyl ethanoate
  • BRN 1741909
  • EC 203-745-1
  • EINECS 203-745-1
  • FEMA No. 2175
  • FEMA Number 2175
  • HSDB 609
  • Isobutyl acetate
  • Isobutyl acetate (natural)
  • Isobutyl ethanoate
  • Isobutylester kyseliny octove
  • Isobutylester kyseliny octove [Czech]
  • NSC 8035
  • UNII-7CR47FO6LF

Systematic Names

  • Acetic acid, 2-methylpropyl ester
  • Acetic acid, isobutyl ester
  • Isobutyl acetate

Superlist Names

  • Isobutyl acetate
  • Isobutyl acetate [UN1213] [Flammable liquid]
  • UN1213

Registry Numbers

CAS Registry Number

  • 110-19-0

FDA UNII

  • 7CR47FO6LF

System Generated Number

  • 0000110190

Structure Descriptors

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

InChIKey

GJRQTCIYDGXPES-UHFFFAOYSA-N

Smiles

C(COC(=O)C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 4763mg/kg (4763mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 17400mg/kg (17400mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 8, 1974.
rat LCLo inhalation 8000ppm/4H (8000ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 13400mg/kg (13400mg/kg)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 8, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.88E+01 deg C   EXP
Boiling Point 116.5 deg C   EXP
log P (octanol-water) 1.78 (none)   EXP
Water Solubility 6300 mg/L 25 EXP
Vapor Pressure 17.8 mm Hg 25 EXP
Henry's Law Constant 4.54E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 5.50E-12 cm3/molecule-sec 25 EXP

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