Compound: tert-Butyl methyl ether
SMILES: O(C(C)(C)C)C
InChIKey: BZLVMXJERCGZMT-UHFFFAOYSA-N
Synonyms: tert-Butyl methyl ether, Methyl tert-butyl ether, 1634-04-4, 2-Methoxy-2-methylpropane, MTBE, Methyl t-butyl ether, Propane, 2-methoxy-2-methyl-, T-BUTYL METHYL ETHER, 2-Methyl-2-methoxypropane, Methyl tertiary-butyl ether, Ether, tert-butyl methyl, Methyl 1,1-dimethylethyl ether, 1,1-dimethylethyl methyl ether, DTXSID3020833, CHEBI:27642, 29I4YB3S89, TERT-BUTOXYMETHANE, DTXCID30833, methyl tert-butyl ether (mtbe), RefChem:818082, 2-methoxy-2-methyl propane, 216-653-1, Methyl-tert-butyl ether, Methyl-t-butyl ether, tert-Butylmethyl ether, tert-butylmethylether, 2-methoxy-2-methyl-propane, tert-C4H9OCH3, methyltert-butyl ether, methyl-tert-butyl-ether, MFCD00008812, Methyl Tertiary Butyl Ether, tBME, Methyl tert butyl ether, tert-BuOMe, methyl-t-butylether, t-butylmethyl ether, methyltertbutyl ether, tertbutylmethyl ether, CCRIS 7596, Methyl-tert-butylether, HSDB 5847, EINECS 216-653-1, UN2398, tert-Butyl methyl ether, for HPLC, >=99.8% (GC), BRN 1730942, Methyl tert-butyl ether (MTBE) 1000 microg/mL in Methanol, Driveron, UNII-29I4YB3S89, MeOtBu, tBuOMe, t-butylmethylether, methylterbutyloxide, methyltertbutylether, tertbutylmethylether, methyl t-butylether, methylt-butyl ether, t-BuOMe, t-butyl methylether, t-butyl-methylether, tert-butylmethyether, MTBE ACS grade, tert.butylmethylether, t-butyl methyi ether, t-butyl-methyl ether, t-butyl-methyl-ether, methyl tert-butylether, methyl tertbutyl ether, methyl-tert.butylether, methyl-tertbutyl ether, methyl-tertbutyl-ether, tert -butylmethylether, tert butylmethyl ether, tert-butyl-methylether, tert. butylmethylether, tert.-butylmethylether, tert.butyl-methylether, tert.butylmethyl ether, tertbutyl methyl ether, tertbutyl(methyl)ether, 1219795-06-8, Tert-butyl methylether, methy tert-butyl ether, methyl ter-butyl ether, metyl tert-butyl ether, ter-butyl methyl ether, tert-buty methyl ether, tert-buyl methyl ether, methyl tert.-butylether, methyl tert.butyl ether, methyl-tert butyl ether, methyl-tert. butylether, methyl-tert.-butylether, methyl-tert.butyl ether, tert-butyl-methyl ether, tert-butyl-methyl-ether, tert. butyl-methylether, tert.-butyl methylether, tert.-butyl-methylether, tert.-butylmethyl ether, tert.butyl methyl ether, Tert butyl methyl ether, methyl tert.-butyl ether, methyl-tert. butyl ether, tert. butyl-methyl-ether, tert.-butyl methyl ether, tert.-butyl-methyl-ether, methyl-tertiarybutyl ether, tert. Butyl methyl ether, tertiary butylmethyl ether, methyl tert.- butyl ether, Epitope ID:122671, tertiary-butyl methyl ether, EC 216-653-1, Tertiary butyl methyl ether, SCHEMBL6223, SCHEMBL41387, 4-01-00-01615 (Beilstein Handbook Reference), (CH3)3COCH3, SCHEMBL131600, SCHEMBL503396, SCHEMBL574467, SCHEMBL1666045, SCHEMBL9668880, tert-butyl methyl ether (mtbe), CHEMBL1452799, SCHEMBL29665007, (METHYL)(TERT-BUTYL)ETHER, tert-Butylmethyl ether, HPLC Grade, Tox21_201184, tert-Butyl methyl ether, HPLC grade, METHYL TERT-BUTYL ETHER [MI], AKOS000121105, METHYL TERT-BUTYL ETHER [IARC], tert-Butyl methyl ether, LR, >=99%, UN 2398, TERT-BUTYLMETHYL ETHER [USP-RS], NCGC00091717-01, NCGC00091717-02, NCGC00258736-01, tert-Butyl methyl ether, p.a., 99.5%, CAS-1634-04-4, tert-Butyl methyl ether, AR, >=99.5%, DB-030412, B0991, NS00008307, tert-Butyl methyl ether, analytical standard, tert-Butyl methyl ether, anhydrous, 99.8%, tert-Butyl methyl ether, reagent grade, 98%, tert-Butyl methyl ether, for HPLC, >=99.8%, tert-Butyl methyl ether, for HPLC, >=99.9%, tert-Butyl methyl ether, reagent grade, >=98%, Q412346, tert-Butyl methyl ether, ACS reagent, >=99.0%, tert-Butylmethyl ether 100 microg/mL in Methanol, InChI=1/C5H12O/c1-5(2,3)6-4/h1-4H, Methyl tert-butyl ether 2000 microg/mL in Methanol, Methyl-tert-butyl ether 100 microg/mL in Methanol, tert-Butyl methyl ether, 99.8% (water < 0.05%), F0001-0590, Methyl tert-butyl ether [UN2398]  [Flammable liquid], MTBE ACS grade trace metal grade, stainless steel drum, tert-Butyl methyl ether, HPLC grade, for HPLC, 99.8%, tert-Butyl methyl ether, puriss. p.a., >=99.5% (GC), tert-Butyl methyl ether, SAJ special grade, >=99.0%, MTBE (water < 30 ppm) packed in returnable 18, 90, or 180 liter stainless steel cylinders, tert-Butyl Methyl Ether, Pharmaceutical Secondary Standard; Certified Reference Material, tert-Butyl methyl ether, United States Pharmacopeia (USP) Reference Standard
Theoretical properties:
molecular_formula: C5H12O
molecular_weight: 88.15 g/mol
exact_mass: 88.088815002 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 1
heavy_atom_count: 6
topological_polar_surface_area: 9.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Liquid
color: Liquid
odor: Terpene-like odor
boiling_point: 131.4 °F at 760 mmHg (USCG, 1999)
melting_point: -164.2 °F (USCG, 1999)
density: 0.7405 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Solubility of water in methyl t-butyl ether: 1.5 g/100 g; unstable in acid solution
flash_point: -14 °F (USCG, 1999)
vapor_pressure: 250.0 [mmHg]
Descriptions:
pubchem: Methyl tert-butyl ether is an ether having methyl and tert-butyl as the two alkyl components. It has a role as a metabolite, a non-polar solvent and a fuel additive.
chebi: An ether having methyl and <em>tert</em>-butyl as the two alkyl components.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Methyl tert-butyl ether (MTBE), also known as tert-butyl methyl ether, is an organic compound with a structural formula (CH3)3COCH3. MTBE is a volatile, flammable, and colorless liquid that is sparingly soluble in water. Primarily used as a fuel additive, MTBE is blended into gasoline to increase octane rating and knock resistance, and to reduce unwanted tailpipe emissions.