prop-2-en-1-yltris(propan-2-yl)silane

• ChemBase ID: 147410
• Molecular Formular: C12H26Si
• Molecular Mass: 198.42034
• Monoisotopic Mass: 198.18037736
• SMILES: CC(C)[Si](CC=C)(C(C)C)C(C)C
• Canonical SMILES: C=CC[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C12H26Si/c1-8-9-13(10(2)3,11(4)5)12(6)7/h8,10-12H,1,9H2,2-7H3
• InChIKey: AKQHUJRZKBYZLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yltris(propan-2-yl)silane
• IUPAC Traditional name: triisopropyl(prop-2-en-1-yl)silane
• Synonyms: Allyltriisopropylsilane; 烯丙基三异丙基硅烷

Database IDs

• CAS Number: 24400-84-8
• MDL Number: MFCD00075115
• PubChem SID: 162241598; 24860515
• PubChem CID: 5018111

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5269
• LogD (pH = 7.4): 4.5269
• Log P: 4.5269
• Molar Refractivity: 59.2057 cm^3
• Polarizability: 25.581032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 168.8 °F; 76 °C
• Density: 0.824 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.467(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: [(CH3)2CH]3SiCH2CH=CH2

DETAILS

Sigma Aldrich - 338060

Packaging
5 g in glass bottle