Benzyl (S)-(+)-glycidyl ether - ≥98%(GC) , CAS No.16495-13-9

CAS: 16495-13-9 Cat. No.: B119630 Molecular Weight: 164.2 Beilstein Registry Number: 5246495 EC Number: 605-380-7

GRADE & PURITY ≥98%(GC)

Synonyms

(S)-2-(benzyloxymethyl)oxirane | (S)-benzylglycidyl ether | (S)-benzyloxymethyloxirane | (S)-Benzyloxymethyl-oxirane | O-benzyl-glycidol | (S)-O-Benzylglycidol | Z1255431172 | Benzyl-(S)-(+)-glycidyl ether | Benzyl(S)-(+)-glycidyl ether | Propane, 1-(benz

Storage

Room temperature

Shipped In

Normal

Overview

Product Application：

(S)-(+)-Glycidyl benzyl ether can be used to prepare 1-octadecyl-3-O-benzyl-sn-glycerol, which is a key intermediate for the synthesis of triglycerides containing α-eleostearic acid.

Specifications

Synonyms

(S)-2-(benzyloxymethyl)oxirane | (S)-benzylglycidyl ether | (S)-benzyloxymethyloxirane | (S)-Benzyloxymethyl-oxirane | O-benzyl-glycidol | (S)-O-Benzylglycidol | Z1255431172 | Benzyl-(S)-(+)-glycidyl ether | Benzyl(S)-(+)-glycidyl ether | Propane, 1-(benz

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504757299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757299
• Canonical Smiles: C1C(O1)COCC2=CC=CC=C2
• IUPAC Name: (2S)-2-(phenylmethoxymethyl)oxirane
• InChIKey: QNYBOILAKBSWFG-SNVBAGLBSA-N
• INCHI: 1S/C10H12O2/c1-2-4-9(5-3-1)6-11-7-10-8-12-10/h1-5,10H,6-8H2/t10-/m1/s1
• Isomeric SMILES: C1[C@H](O1)COCC2=CC=CC=C2
• WGK Germany: 3
• RTECS: TX2860030
• Molecular Weight: 164.2
• Beilstein: 5246495
• Reaxy-Rn: 115279
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115279&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Refractive Index: 1.517
• Specific Rotation[α]: 16° (neat)
• Flash Point(°F): >110°
• Flash Point(°C): >110°
• Boil Point(°C): 130°C
• Molecular Weight: 164.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.084 Da
• Monoisotopic Mass: 164.084 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

References

1. Xiaotong Fu, Meili Ding, Yang Wang, Jiani Chen, Jianfeng Yao.  (2025)  An etching-coordination strategy to construct yolk–shell structured ZIF/Fe–tannic acid composites for enhancing photothermal catalytic CO2 cycloaddition.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA07312J]