Dimethylketene Methyl Trimethylsilyl Acetal - ≥95%(GC) , CAS No.31469-15-5

CAS: 31469-15-5 Cat. No.: D155637 Molecular Weight: 174.32 Beilstein Registry Number: 1362890 EC Number: 629-515-4

GRADE & PURITY ≥95%(GC)

Synonyms

MTDA | 1-Propene, 1-methoxy-2-methyl-1-(trimethylsilyloxy)- | 1-Methoxy-2-methylprop-1-en-1-ol, TMS derivative | [(1-methoxy-2-methylprop-1-en-1-yl)oxy]trimethylsilane | Methyl trimethylsilyl dimethylketene acetal, 95% | BCP18684 | (R)-2-[[6-(3-Amino-1-pi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MTDA | 1-Propene, 1-methoxy-2-methyl-1-(trimethylsilyloxy)- | 1-Methoxy-2-methylprop-1-en-1-ol, TMS derivative | [(1-methoxy-2-methylprop-1-en-1-yl)oxy]trimethylsilane | Methyl trimethylsilyl dimethylketene acetal, 95% | BCP18684 | (R)-2-[[6-(3-Amino-1-pi

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504759232
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759232
• Canonical Smiles: CC(=C(OC)O[Si](C)(C)C)C
• IUPAC Name: (1-methoxy-2-methylprop-1-enoxy)-trimethylsilane
• InChIKey: JNOGVQJEBGEKMG-UHFFFAOYSA-N
• INCHI: 1S/C8H18O2Si/c1-7(2)8(9-3)10-11(4,5)6/h1-6H3
• Isomeric SMILES: CC(=C(OC)O[Si](C)(C)C)C
• WGK Germany: 3
• UN Number: 3271
• Packing Group: III
• Molecular Weight: 174.32
• Beilstein: 1362890
• Reaxy-Rn: 1362893
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362893&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Ketene silyl acetals Ketene acetals Silyl enol ethers Organic metalloid salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Ketene silyl acetal - Ketene acetal or derivatives - Organic metalloid salt - Silyl enol ether - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Refractive Index: 1.42
• Flash Point(°F): 86 °F
• Flash Point(°C): 30 °C
• Boil Point(°C): 52 °C/22 mmHg
• Molecular Weight: 174.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.108 Da
• Monoisotopic Mass: 174.108 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Chenmin Yao, Jian Yu, Yake Wang, Chuliang Tang, Cui Huang.  (2018)  Acidic pH weakens the bonding effectiveness of silane contained in universal adhesives.  DENTAL MATERIALS,      [PMID:29525358] [10.1016/j.dental.2018.02.004]