trimethoxy(2-methylpropyl)silane

• ChemBase ID: 141290
• Molecular Formular: C7H18O3Si
• Molecular Mass: 178.30152
• Monoisotopic Mass: 178.10252097
• SMILES: CC(C)C[Si](OC)(OC)OC
• Canonical SMILES: CO[Si](CC(C)C)(OC)OC
• InChI: InChI=1S/C7H18O3Si/c1-7(2)6-11(8-3,9-4)10-5/h7H,6H2,1-5H3
• InChIKey: XYJRNCYWTVGEEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(2-methylpropyl)silane
• IUPAC Traditional name: trimethoxy(2-methylpropyl)silane
• Synonyms: Isobutyl(trimethoxy)silane; Isobutyltrimethoxysilane; Isobutyltrimethoxysilane; 异丁基(三甲氧基)硅烷; 异丁基三甲氧基硅烷

Database IDs

• CAS Number: 18395-30-7
• EC Number: 242-272-5
• MDL Number: MFCD00051589
• Beilstein Number: 2233976
• PubChem SID: 24885488; 162235524; 24868099
• PubChem CID: 87622

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8153
• LogD (pH = 7.4): 1.8153
• Log P: 1.8153
• Molar Refractivity: 40.334 cm^3
• Polarizability: 18.662909 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solution
• Boiling Point: 137 °C; 154 °C (lit.); 154-157°C
• Flash Point: 109.4 °F; 43 °C; 43°C(109°F)
• Density: 0.93 g/mL at 25 °C(lit.); 0.930
• Refractive Index: 1.3960; n20/D 1.396(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 1993; UN1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20/22-36/37/38; 10-36/37/38
• Safety Statements: 23-26-37; 7-16-24-26-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H319-H332-H335; H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 1993 3/PG 3

Product Information

• Purity: ≥98%; 95+%; 97%
• Grade: deposition grade
• Impurities: <1% methyl alcohol
• Linear Formula: (CH3)2CHCH2Si(OCH3)3

DETAILS

Sigma Aldrich - 679364

Packaging
50 g in glass bottle

Sigma Aldrich - 444065

Packaging
25, 100 mL in glass bottle