tert-butyldimethyl(prop-2-en-1-yloxy)silane

• ChemBase ID: 147002
• Molecular Formular: C9H20OSi
• Molecular Mass: 172.34
• Monoisotopic Mass: 172.12834179
• SMILES: CC(C)(C)[Si](C)(C)OCC=C
• Canonical SMILES: C=CCO[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C9H20OSi/c1-7-8-10-11(5,6)9(2,3)4/h7H,1,8H2,2-6H3
• InChIKey: DHWVPYLVNAKSEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethyl(prop-2-en-1-yloxy)silane
• IUPAC Traditional name: tert-butyldimethyl(prop-2-en-1-yloxy)silane
• Synonyms: Allyloxy-tert-butyldimethylsilane; 烯丙氧基-叔丁基二甲基硅烷

Database IDs

• CAS Number: 105875-75-0
• MDL Number: MFCD00239355
• PubChem SID: 24868112; 162241194
• PubChem CID: 575346

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0388
• LogD (pH = 7.4): 3.0388
• Log P: 3.0388
• Molar Refractivity: 47.2721 cm^3
• Polarizability: 20.696636 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120 °C/50 mmHg(lit.)
• Flash Point: 33 °C; 91.4 °F
• Density: 0.811 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.421(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• 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%
• Linear Formula: H2C=CHCH2OSi(CH3)2C(CH3)3

DETAILS

Sigma Aldrich - 444294

Packaging
5, 25 mL in glass bottle