tetrakis(2H3)methyl silicate

• ChemBase ID: 136803
• Molecular Formular: C4H12O4Si
• Molecular Mass: 152.22118
• Monoisotopic Mass: 152.0504854
• SMILES: CO[Si](OC)(OC)OC
• Canonical SMILES: CO[Si](OC)(OC)OC
• InChI: InChI=1S/C4H12O4Si/c1-5-9(6-2,7-3)8-4/h1-4H3
• InChIKey: LFQCEHFDDXELDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(^2H₃)methyl silicate
• IUPAC Traditional name: tetrakis(^2H₃)methyl silicate
• Synonyms: Tetramethyl-d12-orthosilicate; Tetramethoxy-d12-silane; Tetramethyl-d12 orthosilicate; 四甲氧基-d12-硅烷; 四甲基-d12 正硅酸盐

Database IDs

• CAS Number: 80396-70-9
• MDL Number: MFCD00239445
• PubChem SID: 24864516; 162231072
• PubChem CID: 16212519

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3108
• LogD (pH = 7.4): 0.3108
• Log P: 0.3108
• Molar Refractivity: 28.1876 cm^3
• Polarizability: 13.944069 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 29 °C; 84.2 °F
• Density: 1.114 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.366(lit.)
• Mass Shift: M+12

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2606
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 10-23-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H331
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2606 6.1/PG 1

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 164.18 by atom % calculation
• Linear Formula: (OCD3)4Si

DETAILS

Sigma Aldrich - 393398

Packaging
1, 5 g in ampule