tetramethoxymethane

• ChemBase ID: 146953
• Molecular Formular: C5H12O4
• Molecular Mass: 136.14638
• Monoisotopic Mass: 136.07355886
• SMILES: COC(OC)(OC)OC
• Canonical SMILES: COC(OC)(OC)OC
• InChI: InChI=1S/C5H12O4/c1-6-5(7-2,8-3)9-4/h1-4H3
• InChIKey: AHJWSRRHTXRLAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethoxymethane
• IUPAC Traditional name: tetramethoxymethane
• Synonyms: Tetramethyl orthocarbonate; 原碳酸四甲酯

Database IDs

• CAS Number: 1850-14-2
• EC Number: 217-438-5
• MDL Number: MFCD00008473
• Beilstein Number: 1737682
• PubChem SID: 24848061; 162241145
• PubChem CID: 74613

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3145933
• LogD (pH = 7.4): 1.3145933
• Log P: 1.3145933
• Molar Refractivity: 31.567 cm^3
• Polarizability: 12.81613 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -5 °C(lit.)
• Boiling Point: 114 °C(lit.)
• Flash Point: 22 °C; 71.6 °F
• Density: 1.023 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.385; n20/D 1.385(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3272
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-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 3272 3/PG 2

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: C(OCH3)4

DETAILS

Sigma Aldrich - 132624

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 75588

Other Notes
Review1