[(3,3-dimethylbut-1-en-2-yl)oxy]trimethylsilane

• ChemBase ID: 148320
• Molecular Formular: C9H20OSi
• Molecular Mass: 172.34
• Monoisotopic Mass: 172.12834179
• SMILES: CC(C)(C)C(=C)O[Si](C)(C)C
• Canonical SMILES: C=C(C(C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C9H20OSi/c1-8(9(2,3)4)10-11(5,6)7/h1H2,2-7H3
• InChIKey: PEHJULPJEVIIFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,3-dimethylbut-1-en-2-yl)oxy]trimethylsilane
• IUPAC Traditional name: [(3,3-dimethylbut-1-en-2-yl)oxy]trimethylsilane
• Synonyms: (2,2-Dimethyl-1-methylenepropoxy)trimethylsilane; 3,3-Dimethyl-2-trimethylsiloxy-1-butene; Pinacolone enol trimethylsilyl ether; (1-tert-Butylvinyloxy)trimethylsilane; (2,2-二甲基-1-亚甲基丙氧基)三甲基硅烷; 3,3-二甲基-2-三甲基硅氧基-1-丁烯; 频哪酮烯醇三甲基硅基醚; (1-叔丁基乙烯氧基)三甲基硅烷

Database IDs

• CAS Number: 17510-46-2
• MDL Number: MFCD00075567
• Beilstein Number: 2204704
• PubChem SID: 162242496; 24863107
• PubChem CID: 3400822

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1023
• LogD (pH = 7.4): 3.1023
• Log P: 3.1023
• Molar Refractivity: 47.2922 cm^3
• Polarizability: 20.696636 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 140-142 °C(lit.)
• Flash Point: 24 °C; 75.2 °F
• Density: 0.798 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.409(lit.)

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%
• Linear Formula: (CH3)3CC(=CH2)OSi(CH3)3

DETAILS

Sigma Aldrich - 371440

Packaging
5 g in glass bottle