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Substance Name: t-Butyl methyl ether
RN: 1634-04-4
InChIKey: BZLVMXJERCGZMT-UHFFFAOYSA-N

Notes

Note

  • Used to dissolve gallstones; gasoline additive.

Superlist Note

  • Chemical remains on MTL because of additional testing actions (see OECD/SIDS listing)

Molecular Formula

  • C5-H12-O

Molecular Weight

  • 88.1488
 

Classification Codes

Classification Codes

  • Air Pollutants
  • Carcinogens
  • Environmental Pollutants
  • Noxae
  • Reproductive Effect

Superlist Classification Codes

  • Reportable Quantity (RQ) = 1000 lb
  • TWA (50 ppm); Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Name of Substance

  • Methyl t-butyl ether
  • Methyl tert-butyl ether
  • t-Butyl methyl ether

Synonyms

  • 2-Methoxy-2-methylpropane
  • 2-Methyl-2-methoxypropane
  • 4-01-00-01615 (Beilstein Handbook Reference)
  • BRN 1730942
  • CCRIS 7596
  • EINECS 216-653-1
  • Ether, tert-butyl methyl
  • HSDB 5847
  • Methyl 1,1-dimethylethyl ether
  • Methyl tert-butyl ether
  • Methyl tertiary-butyl ether
  • Methyl-tert-butyl ether
  • MTBE
  • Propane, 2-methoxy-2-methyl-
  • t-Butyl methyl ether
  • tert-Butyl methyl ether
  • UNII-29I4YB3S89

Systematic Names

  • Ether, tert-butyl methyl
  • Methyl tert-butyl ether
  • Propane, 2-methoxy-2-methyl-
  • tert-Butyl methyl ether

Superlist Names

  • Ether, tert-butyl methyl
  • Methyl tert-butyl ether
  • Methyl tert-butyl ether [UN2398] [Flammable liquid]
  • UN2398

Registry Numbers

CAS Registry Number

  • 1634-04-4

System Generated Number

  • 0001634044

Structure Descriptors

InChI

1S/C5H12O/c1-5(2,3)6-4/h1-4H3

InChIKey

BZLVMXJERCGZMT-UHFFFAOYSA-N

Smiles

CC(C)(C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 141gm/m3/15M (141000mg/m3) BEHAVIORAL: GENERAL ANESTHETIC Anesthesiology. Vol. 11, Pg. 455, 1950.
Link to PubMed
mouse LD50 intraperitoneal 1700uL/kg (1.7mL/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 70, Pg. 172, 1990.
mouse LD50 oral 5960uL/kg (5.96mL/kg)   Zhonghua Yixue Zazhi. Chinese Medical Journal. Vol. 70, Pg. 172, 1990.
rat LC50 inhalation 23576ppm/4H (23576ppm)   National Technical Information Service. Vol. PB87-174603,
rat LD intraperitoneal > 148mg/kg (148mg/kg)   Journal of Surgical Research. Vol. 53, Pg. 572, 1992.
Link to PubMed
rat LD50 oral 4gm/kg (4000mg/kg)   National Technical Information Service. Vol. PB87-174603,
rat LDLo intravenous 148mg/kg (148mg/kg)   Journal of Surgical Research. Vol. 53, Pg. 572, 1992.
Link to PubMed

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.09E+02 deg C   EXP
Boiling Point 55.2 deg C   EXP
pKa Dissociation Constant -3.70E+00 (none) 23 EXP
log P (octanol-water) 0.94 (none)   EXP
Water Solubility 5.10E+04 mg/L 25 EXP
Vapor Pressure 250 mm Hg 25 EXP
Henry's Law Constant 5.87E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.94E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.