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Substance Name: Propane, 2-methyl-2-(1-methylethoxy)-
RN: 17348-59-3
InChIKey: HNFSPSWQNZVCTB-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O

Molecular Weight

  • 116.202
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-(1-methylethoxy)propane
  • 4-01-00-01616 (Beilstein Handbook Reference)
  • BRN 1731810
  • EINECS 241-373-1
  • Isopropyl tert-butyl ether
  • Propane, 2-methyl-2-(1-methylethoxy)-
  • tert-Butyl isopropyl ether

Systematic Names

  • 2-Isopropoxy-2-methylpropane
  • Ether, tert-butyl isopropyl (6CI,7CI,8CI)
  • Propane, 2-methyl-2-(1-methylethoxy)-

Registry Numbers

CAS Registry Number

  • 17348-59-3

System Generated Number

  • 0017348593

Structure Descriptors

InChI

1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3

InChIKey

HNFSPSWQNZVCTB-UHFFFAOYSA-N

Smiles

C(OC(C)C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 11gm/m3/4H (11000mg/m3)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 200, 1992.
rat LD oral > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 200, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.80E+01 deg C   EXP
Boiling Point 87.6 deg C   EXP
log P (octanol-water) 2.14 (none)   EXP
Water Solubility 500 mg/L 25 EXP
Vapor Pressure 87.8 mm Hg 25 EST
Henry's Law Constant 3.55E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.36E-11 cm3/molecule-sec 25 EST

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