(4-methoxyphenyl)dimethylprop-2-en-1-ylsilane

• ChemBase ID: 145824
• Molecular Formular: C12H18OSi
• Molecular Mass: 206.35622
• Monoisotopic Mass: 206.11269173
• SMILES: COc1ccc(cc1)[Si](C)(C)CC=C
• Canonical SMILES: COc1ccc(cc1)[Si](CC=C)(C)C
• InChI: InChI=1S/C12H18OSi/c1-5-10-14(3,4)12-8-6-11(13-2)7-9-12/h5-9H,1,10H2,2-4H3
• InChIKey: BEKRXBQZYQZFBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methoxyphenyl)dimethylprop-2-en-1-ylsilane
• IUPAC Traditional name: (4-methoxyphenyl)dimethylprop-2-en-1-ylsilane
• Synonyms: Allyldimethyl(4-methoxyphenyl)silane; Allyl(4-methoxyphenyl)dimethylsilane; 烯丙基二甲基(4-甲氧基苯基)硅烷; 烯丙基(4-甲氧基苯基)二甲基硅烷

Database IDs

• CAS Number: 68469-60-3
• MDL Number: MFCD01862880
• Beilstein Number: 2830799
• PubChem SID: 24873417; 162240026
• PubChem CID: 5067178

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0116
• LogD (pH = 7.4): 4.0116
• Log P: 4.0116
• Molar Refractivity: 57.7967 cm^3
• Polarizability: 24.770647 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 253 °C(lit.)
• Flash Point: 101 °C; 213.8 °F
• Density: 0.935 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.519(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3OC6H4Si(CH3)2CH2CH=CH2

DETAILS

Sigma Aldrich - 511048

Packaging
1, 5 mL in glass bottle