Benzyltriethoxysilane - ≥95% , CAS No.2549-99-7

CAS: 2549-99-7 Cat. No.: B152650 Molecular Weight: 254.4 Beilstein Registry Number: 16912 EC Number: 219-841-1

GRADE & PURITY ≥95%

Synonyms

SY057815 | Benzyltriethoxysilane | AKOS015839041 | EINECS 219-841-1 | FS-5438 | Silane, triethoxy(phenylmethyl)- | BENZENE,[(TRIETHOXYSILYL)METHYL]- | SCHEMBL104109 | DTXSID9062512 | D88996 | benzyl(triethoxy)silane | CPLASELWOOUNGW-UHFFFAOYSA-N | MFCD000

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SY057815 | Benzyltriethoxysilane | AKOS015839041 | EINECS 219-841-1 | FS-5438 | Silane, triethoxy(phenylmethyl)- | BENZENE, [(TRIETHOXYSILYL)METHYL]- | SCHEMBL104109 | DTXSID9062512 | D88996 | benzyl(triethoxy)silane | CPLASELWOOUNGW-UHFFFAOYSA-N | MFCD000

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488185155
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185155
• Canonical Smiles: CCO[Si](CC1=CC=CC=C1)(OCC)OCC
• IUPAC Name: benzyl(triethoxy)silane
• InChIKey: CPLASELWOOUNGW-UHFFFAOYSA-N
• INCHI: 1S/C13H22O3Si/c1-4-14-17(15-5-2,16-6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3
• Isomeric SMILES: CCO[Si](CC1=CC=CC=C1)(OCC)OCC
• Molecular Weight: 254.4
• Beilstein: 16912
• Reaxy-Rn: 2940488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkoxysilanes
          • Level6 Trialkoxysilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkoxysilanes
• Direct Parent: Trialkoxysilanes
• Alternative Parents: Benzene and substituted derivatives Silyl ethers Organoheterosilanes Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trialkoxysilane - Benzenoid - Monocyclic benzene moiety - Silyl ether - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
• 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: 1.46
• Flash Point(°C): 127°C(lit.)
• Boil Point(°C): 248 °C
• Molecular Weight: 254.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 254.134 Da
• Monoisotopic Mass: 254.134 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 176.000
• 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. Xiaofei Wang, Jili Han, Shuxian Zhang, Keshuai Liu, Xiaoxuan Fan, Changcai Bai, Guoning Chen.  (2024)  Self-polymerization silica nanoparticles based molecularly imprinted polymers for selective recognition of protein.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39142168] [10.1016/j.chroma.2024.465260]

2. Tiandong Chen, Chenyi Zhang, Huiting Xu, Yakun Wang, Yanxiao Zhao, Chenxin Lu, Fang Yang.  (2025)  Ultrasound-Manipulated Nanoplatform with Stable Hydrophobic Reservoirs for Spatiotemporal Controlled Renal Delivery of Therapeutic Gases.  Small,      [PMID:41259587] [10.1002/smll.202509186]