2-methoxy-2-methylpropane

• ChemBase ID: 90339
• Molecular Formular: C5H12O
• Molecular Mass: 88.14818
• Monoisotopic Mass: 88.088815
• SMILES: O(C(C)(C)C)C
• Canonical SMILES: COC(C)(C)C
• InChI: InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
• InChIKey: BZLVMXJERCGZMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methylpropane
• IUPAC Traditional name: methyl tertiary-butyl ether
• Synonyms: METHYL t-BUTYL ETHER, ACS GRADE; METHYL t-BUTYL ETHER, HPLC/SPECTRO GRADE; Methyl tertiary-butyl ether; Methyl tert-butyl ether; Methyl t-butyl ether; MTBE; tert-Butyl methyl ether; tBME; tert-BuOMe; Methyl tert-butyl ether; tert-Butyl methyl ether; Methyl tert-butyl ether; Methyl tert-butyl ether; tert-Butyl methyl ether; 2-Methoxy-2-methylpropane; tert-Butyl methyl ether; tert-Butyl methyl ether, HPLC Grade; 叔丁基甲醚; 叔丁基甲基醚; 甲基叔丁基醚; 甲基叔丁基醚; 叔丁基甲基醚; 叔丁基甲醚, HPLC级

Database IDs

• CAS Number: 1634-04-4
• EC Number: 216-653-1
• MDL Number: MFCD00008812
• Beilstein Number: 1730942
• Merck Index: 146032
• PubChem SID: 24846204; 24852092; 24850654; 24871560; 24852097; 24883763; 162077156; 24852099; 24861612; 24868077; 24858551; 24885278; 24857816
• PubChem CID: 15413
• CHEBI ID: 27642
• Chemspider ID: 14672
• KEGG ID: C11344
• Wikipedia Title: Methyl_tert-butyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1785091
• LogD (pH = 7.4): 1.1785091
• Log P: 1.1785091
• Molar Refractivity: 26.8181 cm^3
• Polarizability: 10.631582 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 26 g/L (20 °C) in water
• Apperance: APHA: ≤10; Liquid
• Melting Point: -109°C; -109°C
• Boiling Point: 55.2°C; 55-56 °C; 55-56 °C(lit.); 55-56°C; 55-56°C
• Flash Point: -10°C (14°F); -25°C(-13°F); -27.4 °F; -33 °C; -33°C
• Auto Ignition Point: 705 °F
• Density: 0.74; 0.74 g/mL at 25 °C(lit.); 0.740 g/mL at 20 °C; 0.7404 g/cm3; 0.742
• Refractive Index: 1.3690; n20/D 1.369; n20/D 1.369(lit.)
• Vapor Pressure: 14.78 psi ( 55 °C); 3.92 psi ( 20 °C); 4.05 psi ( 20 °C)
• Vapor Density: 3.1 (vs air)
• Absorption Wavelength: λ: 210 nm Amax: ≤1.0; λ: 210 nm Amax: ≤1.00; λ: 210 nm Amax: 1.0; λ: 210 nm Amax: 1.00; λ: 220 nm Amax: ≤0.40; λ: 225 nm Amax: ≤0.50; λ: 225 nm Amax: 0.50; λ: 230 nm Amax: 0.40; λ: 250 nm Amax: ≤0.10; λ: 250 nm Amax: 0.10; λ: 260 nm Amax: ≤0.05; λ: 300 nm Amax: ≤0.005; λ: 300 nm Amax: 0.01; λ: 300-400 nm Amax: 0.005; λ: 320-400 nm Amax: 0.01; λ: 350 nm Amax: 0.01; λ: 400 nm Amax: ≤0.005; λ: 400 nm Amax: 0.01
• Transmittance: 215 nm, ≥20%; 220 nm, ≥40%; 230 nm, ≥45%; 250 nm, ≥75%; 250 nm, ≥80%; 260 nm, ≥90%; 280 nm, ≥98%; 290 nm, ≥99%

Safety Information

• Storage Warning: Highly Flammable/Irritant/Hygroscopic/Store under Argon
• RTECS: KN5250000
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2398; UN2350
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-38
• Safety Statements: 9-16-24
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• NFPA704:
  

  3

  1
• Explode Limits: 15.1 %
• GHS Hazard statements: H225-H311-H330-H315-H303; H225-H315
• GHS Precautionary statements: P210; P210-P303+P361+P353-P304+P340-P320-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2398 3/PG 2

Product Information

• Purity: ≥98%; ≥98.0% (GC); ≥99%; ≥99% (GC); ≥99.0%; ≥99.0% (GC); ≥99.5% (GC); ≥99.7%; ≥99.7% (GC); ≥99.8%; ≥99.9% (GC); 98%; 99%; 99.7%; 99.8%; 99.9%; 99+%
• Grade: ACS; ACS reagent; ACS spectrophotometric grade; analytical standard; anhydrous; CHROMASOLV®; CHROMASOLV® Plus; for HPLC; for residue analysis; HPLC; HPLC grade; PRA grade; puriss.; puriss. p.a.; purum; reagent grade; SAJ special grade; SPECTRANAL™
• Packaging: ampule of 1000 mg; packaged under Argon in resealable ChemSeal? bottles
• Suitability: suitable for D5441 per ASTM
• Evaporation Residue: <0.0001%; <0.0003%; <0.0005%; ≤0.0001%; ≤0.001%; ≤0.005%
• Impurities: <0.003% water; <0.005% water(100 mL pkg); <0.010% water; <1 ppm H2O2; <1.0 ppb Fluorescence (quinine) at 365 nm; ≤0.00003% peroxides (as H2O2); ≤0.00006% S-compounds (as S); ≤0.0005% non-volatile matter; ≤0.0005% peroxides (as H2O2); ≤0.001% carbonyl compounds (as CO); ≤0.001% free acid (as CH3COOH); ≤0.002% free acid (as CH3COOH); ≤0.002% non-volatile matter; ≤0.005% free acid (as CH3COOH); ≤0.005% iso-butylmethylketone; ≤0.005% peroxides (as H2O2); ≤0.01% water; ≤0.01% water (Karl Fischer); ≤0.02% Water; ≤0.02% water; ≤0.05% water; ≤0.05% water (Karl Fischer); ≤0.1% water (Karl Fischer); ≤1 ppb fluorescence (quinine) at 254 nm; ≤1 ppb fluorescence (quinine) at 365 nm; ≤1 ppm higher-boiling impurities (GC); ≤5 ng/L suitability for residue analysis
• Cation Traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.05 mg/kg; Fe: ≤0.1 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.05 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.05 mg/kg; Zn: ≤0.1 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label)
• Purified By: glass distillation
• Quality: dried over molecular sieve (H2O ≤0.01%); for pesticide residue analysis
• λ: H2O reference
• Halogenated residue (GC/ECD): <10 ng/L (as heptachlor epoxide); ≤10 ng/L (as heptachlor epoxide)
• Determination of P/N: ≤5 ng/L
• Linear Formula: (CH3)3COCH3

DETAILS

MP Biomedicals - 05205852

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 316466

Application
Suitable for pesticide residue analysis
Packaging
4×4 L in glass bottle
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 293210

Packaging
2, 4×4 L in glass bottle

Sigma Aldrich - 179787

Application
Substitute for lead alkyls as an additive in gasoline blending.
Packaging
1, 6×1 L in Sure/Seal™
4 L in glass bottle

Sigma Aldrich - 34498

Other Notes
Pertains only in Germany: Für Deutschland: Mineralölerzeugnis, steuerbegünstigt! Darf nicht als Treib-, Heiz-, Schmierstoff oder zur Herstellung solcher Stoffe verwendet werden!

Sigma Aldrich - 650560

Application
Suitable for HPLC, spectrophotometry, environmental testing
Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
Packaging
1, 6×1, 4, 4×4 L in glass bottle
20 L in Nowpak™
50 L in Pure-Pac™ 2
56 L in Pure-Pac™ 1
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 34875

Packaging
1, 6×1, 2, 4×2, 2.5, 4×2.5, 4, 4×4 L in glass bottle
7 L in ss drum
100 mL in glass bottle
200 L in Pure-Pac™ 1
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 306975

Packaging
1, 6×1, 2 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 320196

Packaging
1 L in glass bottle

Sigma Aldrich - 443808

Packaging
1, 6×1, 2, 4×2 L in Sure/Seal™
2.5, 4×2.5, 4×4 L in glass bottle
20, 200 L in steel drum
500 mL in Sure/Seal™

Sigma Aldrich - 675407

Packaging
4, 4×4 L in PVC coated
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 65293

Other Notes
Pertains only in Germany: Für Deutschland: Mineralölerzeugnis, steuerbegünstigt! Darf nicht als Treib-, Heiz-, Schmierstoff oder zur Herstellung solcher Stoffe verwendet werden!

Sigma Aldrich - 295868

Packaging
1 L in glass bottle

Sigma Aldrich - 34937

Caution
Pertains only in Germany: Für Deutschland: Mineralölerzeugnis, steuerbegünstigt! Darf nicht als Treib-, Heiz-, Schmierstoff oder zur Herstellung solcher Stoffe verwendet werden!
Legal Information
SPECTRANAL is a trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 33020

Other Notes
Pertains only in Germany: Für Deutschland: Mineralölerzeugnis, steuerbegünstigt! Darf nicht als Treib-, Heiz-, Schmierstoff oder zur Herstellung solcher Stoffe verwendet werden!