1,1,2-trimethoxyethane

• ChemBase ID: 152456
• Molecular Formular: C5H12O3
• Molecular Mass: 120.14698
• Monoisotopic Mass: 120.07864424
• SMILES: COCC(OC)OC
• Canonical SMILES: COCC(OC)OC
• InChI: InChI=1S/C5H12O3/c1-6-4-5(7-2)8-3/h5H,4H2,1-3H3
• InChIKey: DYOZNCVZPFIXLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2-trimethoxyethane
• IUPAC Traditional name: 1,1,2-trimethoxyethane
• Synonyms: 1,1,2-Trimethoxyethane; Methoxyacetaldehyde dimethyl acetal; 1,1,2-trimethoxyethane; 1,1,2-三甲氧基乙烷; 甲氧基乙醛缩二甲醇

Database IDs

• CAS Number: 24332-20-5
• EC Number: 246-175-9
• MDL Number: MFCD00008486
• Beilstein Number: 741876
• PubChem SID: 162246601; 24883491
• PubChem CID: 47520

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.3564765
• LogD (pH = 7.4): 0.3564765
• Log P: 0.3564765
• Molar Refractivity: 29.8371 cm^3
• Polarizability: 12.062768 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 56-59 °C/56 mmHg(lit.)
• Flash Point: 23 °C; 73.4 °F
• Density: 0.932 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.392(lit.); n20/D 1.393
• Hydrophobicity(logP): -0.59

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: 26-36
• 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: ≥98.0% (GC); 95%; 95+%
• Linear Formula: CH3OCH2CH(OCH3)2

DETAILS

Sigma Aldrich - 64685

Packaging
50, 250 mL in glass bottle