2-methoxy-2-methylbutane

• ChemBase ID: 129761
• Molecular Formular: C6H14O
• Molecular Mass: 102.17476
• Monoisotopic Mass: 102.10446507
• SMILES: O(C(C)(C)CC)C
• Canonical SMILES: CCC(OC)(C)C
• InChI: InChI=1S/C6H14O/c1-5-6(2,3)7-4/h5H2,1-4H3
• InChIKey: HVZJRWJGKQPSFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methylbutane
• IUPAC Traditional name: tert-amyl methyl ether
• Synonyms: Tert-Amyl methyl ether; TAME; 1,1-Dimethylpropyl methyl ether; Methyl 2-methyl-2-butyl ether; Methyl tert-pentyl ether; tert-Amyl methyl ether; 1,1-二甲基丙基甲醚; 甲基2-甲基-2-丁醚; 甲基叔戊醚; 叔戊基甲基醚

Database IDs

• CAS Number: 994-05-8
• EC Number: 213-611-4
• MDL Number: MFCD00010186
• Beilstein Number: 1731452
• PubChem SID: 24857082; 162224050; 24867673
• PubChem CID: 61247
• Chemspider ID: 55188
• Wikipedia Title: Tert-Amyl_methyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7010314
• LogD (pH = 7.4): 1.7010314
• Log P: 1.7010314
• Molar Refractivity: 31.3421 cm^3
• Polarizability: 12.476034 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 10.71 g/L at 20 °C in water
• Apperance: Clear, colorless liquid
• Melting Point: -80°C
• Boiling Point: 85-86 °C(lit.); 86.3°C
• Flash Point: -11 °C; 19.4 °F; -7 °C
• Auto Ignition Point: 430 °C
• Density: 0.76-0.78 g/mL at 25 °C(lit.); 3.52 (vapor)
• Refractive Index: 1.3896; n20/D 1.389(lit.); n20/D 1.3896
• Viscosity: Low

Safety Information

• RTECS: EK4421000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-67
• Safety Statements: 9-16-23-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Explode Limits: Upper Explosive Limit = 7.1 % Lower Explosive Limit = 1.0
• GHS Hazard statements: H225-H302-H336
• GHS Precautionary statements: P210-P261
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 2

Product Information

• Purity: 97%
• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: C2H5C(CH3)2OCH3

DETAILS

Sigma Aldrich - 283096

Packaging
5, 100, 500 mL in glass bottle