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Substance Name: Butoxyl
RN: 4435-53-4
UNII: 2W0NXC23XW
InChIKey: QMYGFTJCQFEDST-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O3

Molecular Weight

  • 146.185
 
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Names and Synonyms

Name of Substance

  • Butoxyl

Synonyms

  • 3-Methoxybutyl acetate
  • 3-Methoxybutylester kyseliny octove
  • 3-Methoxybutylester kyseliny octove [Czech]
  • 4-02-00-00222 (Beilstein Handbook Reference)
  • Acetic acid, 3-methoxybutyl ester
  • AI3-21921
  • BRN 1749312
  • Butoxyl
  • CCRIS 6696
  • EC 224-644-9
  • EINECS 224-644-9
  • Methyl-1,3-butylene glycol acetate
  • NSC 15638
  • UNII-2W0NXC23XW

Systematic Names

  • 1-Butanol, 3-methoxy-, 1-acetate
  • 1-Butanol, 3-methoxy-, acetate
  • 3-Methoxybutyl acetate

Superlist Names

  • 3-Methoxybutyl acetate
  • Butoxyl [UN2708] [Flammable liquid]
  • UN2708

Registry Numbers

CAS Registry Number

  • 4435-53-4

FDA UNII

  • 2W0NXC23XW

System Generated Number

  • 0004435534

Structure Descriptors

InChI

1S/C7H14O3/c1-6(9-3)4-5-10-7(2)8/h6H,4-5H2,1-3H3

InChIKey

QMYGFTJCQFEDST-UHFFFAOYSA-N

Smiles

C([C@@H](OC)C)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4210mg/kg (4210mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.010 (none)   EST
Water Solubility 4600 mg/L 20 EXP
Vapor Pressure 2.770 mm Hg 25 EST
Henry's Law Constant 4.80E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.88E-11 cm3/molecule-sec 25 EST

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