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Substance Name: sec-Butyl acetate
RN: 105-46-4
UNII: UVH2QII6CG
InChIKey: DCKVNWZUADLDEH-UHFFFAOYSA-N

Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA (200 ppm)
  • TWA 200 ppm (950 mg/m3)

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Name of Substance

  • sec-Butyl acetate

Synonyms

  • 1-Methylpropyl acetate
  • 1-Methylpropyl ethanoate
  • 2-Butanol acetate
  • 2-Butyl acetate
  • 4-02-00-00148 (Beilstein Handbook Reference)
  • Acetate de butyle secondaire
  • Acetate de butyle secondaire [French]
  • Acetic acid secondary butyl ester
  • Acetic acid, 1-methylpropyl ester
  • Acetic acid, 2-butoxy ester
  • Acetic acid, sec-butyl ester
  • BRN 1720689
  • EINECS 203-300-1
  • HSDB 673
  • NSC 8034
  • sec-Butyl acetate
  • sec-Butyl alcohol acetate
  • sec-Butyl ethanoate
  • UNII-UVH2QII6CG

Systematic Names

  • Acetic acid, 1-methylpropyl ester
  • Acetic acid, sec-butyl ester
  • sec-Butyl acetate

Superlist Names

  • Acetic acid, 1-methylpropyl ester
  • Butyl acetates
  • Butyl acetates [UN1123] [Flammable liquid]
  • sec-Butyl acetate
  • UN1123

Registry Numbers

CAS Registry Number

  • 105-46-4

FDA UNII

  • UVH2QII6CG

Other Registry Number

  • 116698-48-7

System Generated Number

  • 0000105464

Structure Descriptors

InChI

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

InChIKey

DCKVNWZUADLDEH-UHFFFAOYSA-N

Smiles

O([C@@H](CC)C)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 24000ppm/4H (24000ppm)   National Technical Information Service. Vol. OTS0556683,
rat LD50 oral 3200mg/kg (3200mg/kg)   National Technical Information Service. Vol. OTS0556683,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.89E+01 deg C   EXP
Boiling Point 112 deg C   EXP
log P (octanol-water) 1.72 (none)   EXP
Water Solubility 6200 mg/L 20 EXP
Vapor Pressure 17 mm Hg 20 EXP
Henry's Law Constant 4.19E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.50E-12 cm3/molecule-sec 25 EXP

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