2-(2-methoxyethoxy)-2-methylpropane

• ChemBase ID: 136770
• Molecular Formular: C7H16O2
• Molecular Mass: 132.20074
• Monoisotopic Mass: 132.11502975
• SMILES: CC(C)(C)OCCOC
• Canonical SMILES: COCCOC(C)(C)C
• InChI: InChI=1S/C7H16O2/c1-7(2,3)9-6-5-8-4/h5-6H2,1-4H3
• InChIKey: FQQBAHSCHMASLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethoxy)-2-methylpropane
• IUPAC Traditional name: 2-(2-methoxyethoxy)-2-methylpropane
• Synonyms: Ethylene glycol tert-butyl methyl ether; 1-tert-Butoxy-2-methoxyethane; 乙二醇叔丁基甲基醚; 1-叔丁氧基-2-甲氧基乙烷

Database IDs

• CAS Number: 66728-50-5
• EC Number: 266-463-8
• MDL Number: MFCD00008813
• PubChem SID: 162231039
• PubChem CID: 105381

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1315336
• LogD (pH = 7.4): 1.1315336
• Log P: 1.1315336
• Molar Refractivity: 37.8616 cm^3
• Polarizability: 15.006608 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 131-132 °C(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 0.84 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.3985(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3271
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3271 3/PG 3

Product Information

• Purity: 99%
• Linear Formula: (CH3)3COCH2CH2OCH3