Benzyloxyacetaldehyde - ≥96% , CAS No.60656-87-3

CAS: 60656-87-3 Cat. No.: B136421 Molecular Weight: 150.17 EC Number: 262-349-7

GRADE & PURITY ≥96%

Synonyms

EN300-85857 | EX-A1257 | benzyloxy acetaldehyde | 2-Benzyloxy acetaldehyde | AKOS009156988 | alpha-benzyloxyacetaldehyde | Acetaldehyde, (phenylmethoxy)- | Acetaldehyde, 2-(phenylmethoxy)- | (Benzyloxy)ethanal | BCP23384 | InChI=1/C9H10O2/c10-6-7-11-8-9-4

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Benzyloxyacetaldehyde is an acceptor. 2-deoxyribose 5-phosphate aldolase variants are engineered for enzymic preparation of β-ketols

Specifications

Synonyms

EN300-85857 | EX-A1257 | benzyloxy acetaldehyde | 2-Benzyloxy acetaldehyde | AKOS009156988 | alpha-benzyloxyacetaldehyde | Acetaldehyde, (phenylmethoxy)- | Acetaldehyde, 2-(phenylmethoxy)- | (Benzyloxy)ethanal | BCP23384 | InChI=1/C9H10O2/c10-6-7-11-8-9-4

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488187438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187438
• Canonical Smiles: C1=CC=C(C=C1)COCC=O
• IUPAC Name: 2-phenylmethoxyacetaldehyde
• InChIKey: NFNOAHXEQXMCGT-UHFFFAOYSA-N
• INCHI: 1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
• Isomeric SMILES: C1=CC=C(C=C1)COCC=O
• WGK Germany: 3
• Molecular Weight: 150.17
• Reaxy-Rn: 2326940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2326940&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: Dialkyl ethers Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homomonocyclic 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.52
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 120 °C/13 mmHg
• Molecular Weight: 150.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 106.000
• 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