2,5,8,11-tetraoxadodecane

• ChemBase ID: 1841
• Molecular Formular: C8H18O4
• Molecular Mass: 178.22612
• Monoisotopic Mass: 178.12050906
• SMILES: COCCOCCOCCOC
• Canonical SMILES: COCCOCCOCCOC
• InChI: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
• InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,8,11-tetraoxadodecane
• IUPAC Traditional name: triglyme
• Synonyms: Dimethyltriglycol; Triethylene glycol dimethyl ether; 1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane; Triglyme; TRIETHYLENE GLYCOL DIMETHYL ETHER; 2,5,8,11-tetraoxadodecane; 1,2-bis(2-methoxyethoxy)ethane; dimethyltriglycoe; 2,5,8,11-Tetraoxadodecane; Ansul Ether 161; DMTG; Glyme 4; Hisolve MTM; Methyltriglyme; NSC 66400; Triethylene Glycol Dimethyl Ether; Triglyme; 1,2-二(2-甲氧基乙氧基)乙烷; 三乙二醇二甲基醚; 三甘醇二甲醚; 三乙二醇二甲醚; 三甘醇二甲醚

Database IDs

• CAS Number: 112-49-2
• EC Number: 203-977-3
• MDL Number: MFCD00008504
• Beilstein Number: 1700630
• Merck Index: 149692
• PubChem SID: 160965296; 46505275; 24889365; 24900334
• PubChem CID: 8189
• Wikipedia Title: Triethylene_glycol_dimethyl_ether

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.01637709
• LogD (pH = 7.4): -0.01637709
• Log P: -0.01637709
• Molar Refractivity: 46.143 cm^3
• Polarizability: 18.28224 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.09
• LOG S: -1.03
• Solubility (Water): 1.67e+01 g/l

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -45 °C(lit.); -45°C; -46°C
• Boiling Point: 215-216°C; 216 °C(lit.); 216°C
• Flash Point: 113 °C; 113°C(235°F); 235.4 °F
• Auto Ignition Point: 375 °F
• Density: 0.98 g/ml; 0.986; 0.986 g/cm^3; 0.986 g/mL at 25 °C(lit.)
• Refractive Index: 1.4230; n20/D 1.423; n20/D 1.423(lit.)
• Vapor Density: >4.7 (vs air)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: XF0665000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 61-19-62; 61-62-19
• Safety Statements: 53-45
• Emergency Response Guidebook(ERG) Number: 171
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360; H360Df
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 95+%; 99%
• Grade: absolute; puriss.; purum; ReagentPlus®
• Quality: over molecular sieve (H2O ≤0.005%)
• Linear Formula: CH3O(CH2CH2O)3CH3

DETAILS

MP Biomedicals - 02157006

1 ml = approx. 0.98 g

DrugBank - DB02078

Drug information: experimental

Sigma Aldrich - T59803

Packaging
1, 3 kg in poly bottle
18 kg in steel drum
250 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Toronto Research Chemicals - T793800

It is used as a solvent.

REFERENCES

• Useful aprotic solvent with chelating properties.
• Has been used as solvent in a simplified Wittig synthesis, with anhydrous K ₂ CO ₃ as base and the phosphonium salt, such as Methyltriphenylphosphonium bromide, A15878, acting as both reactant and phase-transfer catalyst: Synth. Commun., 22, 513 (1992).