1-ethoxy-2-(2-ethoxyethoxy)ethane

• ChemBase ID: 5975
• Molecular Formular: C8H18O3
• Molecular Mass: 162.22672
• Monoisotopic Mass: 162.12559444
• SMILES: CCOCCOCCOCC
• Canonical SMILES: CCOCCOCCOCC
• InChI: InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
• InChIKey: RRQYJINTUHWNHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-2-(2-ethoxyethoxy)ethane
• IUPAC Traditional name: bis (2-ethoxy ethyl) ether; bis (2-ethoxy ethyl) ether
• Synonyms: Diethylene glycol diethyl ether, HPLC Grade; diethyl carbitol; bis(2-ethoxyethyl) ether; ethyl diglyme; diethyldiethylene glycol; 3,6,9-Trioxaundecane; 1-Ethoxy-2-(2-ethoxyethoxy)ethane; diethyldiglycol; Diethylene glycol diethyl ether; 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE; 2-Ethoxyethyl ether; Diethylene glycol diethyl ether; 二乙二醇二乙醚, HPLC级; 2-乙氧基乙基醚; 二乙基卡必醇; 双(2-乙氧基乙基)醚; 二乙二醇二乙醚

Database IDs

• CAS Number: 112-36-7
• EC Number: 203-963-7
• MDL Number: MFCD00009254
• Beilstein Number: 1699259
• Merck Index: 143118
• PubChem SID: 24859284; 99444828; 24858662; 24894571; 160969400
• PubChem CID: 8179
• Chemspider ID: 21106583
• Wikipedia Title: Diethylene_glycol_diethyl_ether

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.74421436
• LogD (pH = 7.4): 0.74421436
• Log P: 0.74421436
• Molar Refractivity: 44.5967 cm^3
• Polarizability: 17.554483 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.64
• LOG S: -1.15
• Solubility (Water): 1.14e+01 g/l

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -44°C
• Boiling Point: 180-190 °C(lit.); 188-190°C
• Flash Point: 152.6 °F; 67 °C; 71°C(160°F)
• Density: 0.909; 0.909 g/mL at 25 °C(lit.)
• Refractive Index: 1.4120; n20/D 1.412; n20/D 1.412(lit.)
• Vapor Pressure: 0.5 mmHg ( 20 °C)
• Vapor Density: 5.6 (vs air)
• Absorption Wavelength: λ: 260 nm Amax: 1.00; λ: 300 nm Amax: 0.10; λ: 320 nm Amax: 0.04; λ: 350-400 nm Amax: 0.01

Safety Information

• RTECS: KN3160000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 19-36; 36
• Safety Statements: 23-26; 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319; H319-H227-H303
• GHS Precautionary statements: P210-P280-P305+P351+P338-P312-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98%; ≥98.0% (GC); ≥99%; ≥99.0% (GC); 99%; 99+%
• Grade: CHROMASOLV®; for HPLC; puriss. p.a.; purum; reagent grade
• Impurities: <0.050% water; ≤0.005% peroxides (as H2O2)
• Cation Traces: Al: ≤0.5 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: ≤0.1 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: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Purified By: glass distillation
• λ: H2O reference
• Linear Formula: (C2H5OCH2CH2)2O

DETAILS

DrugBank - DB08357

Drug information: experimental

Sigma Aldrich - E4658

Packaging
1, 4 L in glass bottle
20 L in steel drum
500 mL in glass bottle

Sigma Aldrich - 308277

Packaging
1 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH