2-ethoxy-2-methylpropane

• ChemBase ID: 127333
• Molecular Formular: C6H14O
• Molecular Mass: 102.17476
• Monoisotopic Mass: 102.10446507
• SMILES: O(C(C)(C)C)CC
• Canonical SMILES: CCOC(C)(C)C
• InChI: InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3
• InChIKey: NUMQCACRALPSHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-2-methylpropane
• IUPAC Traditional name: ethyl tert-butyl ether
• Synonyms: Ethyl tert-butyl ether; Ethyl tertiary butyl ether; Ethyl tert-butyl oxide; tert-Butyl ethyl ether; Ethyl t-butyl ether; Ethyl tert-butyl ether; tert-Butyl ethyl ether; Ethyl tert-butyl ether; tert-Butoxyethane; 叔丁基乙基醚; 叔丁基乙醚

Database IDs

• CAS Number: 637-92-3
• EC Number: 211-309-7
• MDL Number: MFCD00009225
• Beilstein Number: 1731469
• Merck Index: 143774
• PubChem SID: 24845437; 24867674; 162221654; 24855337
• PubChem CID: 12512
• Chemspider ID: 11996
• Wikipedia Title: Ethyl_tert-butyl_ether

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5353171
• LogD (pH = 7.4): 1.5353171
• Log P: 1.5353171
• Molar Refractivity: 31.5667 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: 1.2 g/100 g in water
• Apperance: Clear colorless liquid
• Melting Point: -94°C; -94°C; -97 °C(lit.)
• Boiling Point: 69–71 °C; 72-73 °C(lit.); 72-73°C
• Flash Point: -19 °C; -19 °C; -19°C(-2°F); -2.2 °F
• Density: 0.7364 g/cm^3; 0.742 g/mL at 25 °C(lit.); 0.750
• Refractive Index: 1.3750; n20/D 1.375(lit.); n20/D 1.376
• Vapor Pressure: 155 mmHg ( 25 °C)

Safety Information

• RTECS: KN4730200
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1179; UN1179
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-36/37/38; 11-36/38; R11 R20
• Safety Statements: 16-26; 9-16-23-26-33-37; S16
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H331; H225-H331-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1179 3/PG 2

Product Information

• Purity: ≥97.0% (GC); 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Contains: ~0.01% 2,6-Di-tert-butyl-4-methlyphenol as stabilizer
• Linear Formula: C2H5OC(CH3)3

DETAILS

Sigma Aldrich - 253898

Packaging
5, 25 g in glass bottle