(1-ethoxycyclopropoxy)trimethylsilane

• ChemBase ID: 149921
• Molecular Formular: C8H18O2Si
• Molecular Mass: 174.31282
• Monoisotopic Mass: 174.10760635
• SMILES: CCOC1(CC1)O[Si](C)(C)C
• Canonical SMILES: CCOC1(CC1)O[Si](C)(C)C
• InChI: InChI=1S/C8H18O2Si/c1-5-9-8(6-7-8)10-11(2,3)4/h5-7H2,1-4H3
• InChIKey: BZMMRNKDONDVIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-ethoxycyclopropoxy)trimethylsilane
• IUPAC Traditional name: (1-ethoxycyclopropoxy)trimethylsilane
• Synonyms: Cyclopropanone ethyl trimethylsilyl acetal; (1-Ethoxycyclopropoxy)trimethylsilane; 环丙基乙基三甲基甲硅烷基乙缩醛; 1-乙氧基-1-三甲硅氧基环丙烷

Database IDs

• CAS Number: 27374-25-0
• MDL Number: MFCD00074986
• Beilstein Number: 1924720
• PubChem SID: 24845350; 24860049; 162244083
• PubChem CID: 2734686

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5898
• LogD (pH = 7.4): 2.5898
• Log P: 2.5898
• Molar Refractivity: 42.7863 cm^3
• Polarizability: 19.058847 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50-53 °C/22 mmHg(lit.)
• Flash Point: 26 °C; 78.8 °F
• Density: 0.867 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.407(lit.); n20/D 1.408

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• 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 1993 3/PG 3

Product Information

• Purity: ≥98.0% (GC); 99%
• Grade: purum
• Linear Formula: C2H5OC3H4OSi(CH3)3

DETAILS

Sigma Aldrich - 332739

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 02660

Other Notes
Building block; preparation of zinc and titanium homo-enolates suited for homo-Reformatsky and other addition reactions 1; Precursor of 1-lithio-1-ethoxycyclopropane 2