3-(Methoxymethoxy)benzaldehyde - ≥95% , CAS No.13709-05-2

CAS: 13709-05-2 Cat. No.: M157864 Molecular Weight: 166.18

GRADE & PURITY ≥95%

Synonyms

D91502 | 3-(Methoxymethoxy)benzaldehyde, AldrichCPR | A807187 | SCHEMBL950478 | DTXSID80483534 | FT-0636942 | AKOS010077281 | 3-(Methoxymethoxy)benzaldehyde | MFCD04038425 | 3-methoxymethyloxy-benzaldehyde | J-510892 | Benzaldehyde, 3-(methoxymethoxy)- |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

D91502 | 3-(Methoxymethoxy)benzaldehyde, AldrichCPR | A807187 | SCHEMBL950478 | DTXSID80483534 | FT-0636942 | AKOS010077281 | 3-(Methoxymethoxy)benzaldehyde | MFCD04038425 | 3-methoxymethyloxy-benzaldehyde | J-510892 | Benzaldehyde, 3-(methoxymethoxy)- |

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COCOC1=CC=CC(=C1)C=O
• IUPAC Name: 3-(methoxymethoxy)benzaldehyde
• InChIKey: JAFJNSQISURLCX-UHFFFAOYSA-N
• INCHI: 1S/C9H10O3/c1-11-7-12-9-4-2-3-8(5-9)6-10/h2-6H,7H2,1H3
• Isomeric SMILES: COCOC1=CC=CC(=C1)C=O
• Molecular Weight: 166.18
• Reaxy-Rn: 2091524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2091524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Benzoyl - Benzaldehyde - Aryl-aldehyde - Monocyclic benzene moiety - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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: Air Sensitive
• Refractive Index: 1.53
• Molecular Weight: 166.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 136.000
• 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