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Substance Name: Isoamyl acetate
RN: 123-92-2
UNII: Z135787824
InChIKey: MLFHJEHSLIIPHL-UHFFFAOYSA-N

Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm); STEL (100 ppm)
  • TWA 100 ppm (525 mg/m3)

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.1856
 
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Names and Synonyms

Name of Substance

  • 1-Butanol, 3-methyl-, acetate
  • 3-Methyl-1-butanol acetate
  • Isoamyl acetate

Synonyms

  • 1-Butanol, 3-methyl-, acetate
  • 2-Methylbutyl ethanoate
  • 3-Methyl-1-butanol acetate
  • 3-Methyl-1-butyl acetate
  • 3-Methylbutyl acetate
  • 3-Methylbutyl ethanoate
  • 4-02-00-00157 (Beilstein Handbook Reference)
  • Acetic acid, 3-methylbutyl ester
  • Acetic acid, isopentyl ester
  • AI3-00576
  • Amyl acetate, common
  • Amylacetic ester
  • Banana oil
  • beta-Methylbutyl acetate
  • BRN 1744750
  • CCRIS 6051
  • EC 204-662-3
  • EINECS 204-662-3
  • FEMA No. 2055
  • FEMA Number 2055
  • HSDB 1818
  • I-Amyl acetate
  • In Commercial practice amyl invariably means isoamyl, unless it is prefaced by the n- for normal
  • Isoamyl acetate
  • Isoamyl acetate (natural)
  • Isoamyl ethanoate
  • Isoamylester kyseliny octove
  • Isoamylester kyseliny octove [Czech]
  • Isopentyl acetate
  • Isopentyl alcohol, acetate
  • Isopentyl ethanoate
  • NSC 9260
  • Pear oil
  • UNII-Z135787824

Systematic Names

  • 1-Butanol, 3-methyl-, 1-acetate
  • 1-Butanol, 3-methyl-, acetate
  • 3-Methyl-1-butanol, acetate
  • Isoamyl acetate
  • Isopentyl acetate
  • Isopentyl alcohol, acetate

Superlist Names

  • 1-Butanol, 3-methyl-, acetate
  • 3-Methyl-1-butanol, acetate
  • Iso-amyl acetate
  • Isoamyl acetate
  • Pentyl acetate, all isomers

Registry Numbers

CAS Registry Number

  • 123-92-2

FDA UNII

  • Z135787824

Other Registry Number

  • 29732-50-1

System Generated Number

  • 0000123922

Structure Descriptors

InChI

1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3

InChIKey

MLFHJEHSLIIPHL-UHFFFAOYSA-N

Smiles

C(CCOC(C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 35gm/m3 (35000mg/m3) KIDNEY, URETER, AND BLADDER: PROTEINURIS

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: GENERAL ANESTHETIC
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
guinea pig LDLo subcutaneous 5gm/kg (5000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933.
rabbit LD50 oral 7422mg/kg (7422mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0573010,
rat LD50 oral 16600mg/kg (16600mg/kg)   Yakkyoku. Pharmacy. Vol. 32, Pg. 1241, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.85E+01 deg C   EXP
Boiling Point 142.5 deg C   EXP
log P (octanol-water) 2.260 (none)   EST
Water Solubility 2000 mg/L 25 EXP
Vapor Pressure 5.6 mm Hg 25 EXP
Henry's Law Constant 5.87E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.01E-12 cm3/molecule-sec 25 EST

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