Diethyl Phenyl Orthoformate - ≥97.0%(GC) , CAS No.14444-77-0

CAS: 14444-77-0 Cat. No.: D154494 Molecular Weight: 196.25 EC Number: 238-421-9

GRADE & PURITY ≥97%(GC)

Synonyms

Diethyl phenyl orthoformate | Benzene, (diethoxymethoxy)- | Diethoxyphenoxymethane | Diethoxy(phenoxy)methane | EINECS 238-421-9 | diethoxymethoxybenzene | diethoxymethoxy-benzene | Orthoformic Acid Diethyl Phenyl Ester | (Diethoxymethoxy)benzene | phenyl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Diethyl phenyl orthoformate | Benzene, (diethoxymethoxy)- | Diethoxyphenoxymethane | Diethoxy(phenoxy)methane | EINECS 238-421-9 | diethoxymethoxybenzene | diethoxymethoxy-benzene | Orthoformic Acid Diethyl Phenyl Ester | (Diethoxymethoxy)benzene | phenyl

Specifications & Purity

≥97.0%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: CCOC(OCC)OC1=CC=CC=C1
• IUPAC Name: diethoxymethoxybenzene
• InChIKey: QTURWMMVIIBRRP-UHFFFAOYSA-N
• INCHI: 1S/C11H16O3/c1-3-12-11(13-4-2)14-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
• Isomeric SMILES: CCOC(OCC)OC1=CC=CC=C1
• WGK Germany: 3
• Molecular Weight: 196.25
• Reaxy-Rn: 1872634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872634&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 Ortho esters Carboxylic acid orthoesters Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Ortho ester - Carboxylic acid orthoester - Monocyclic benzene moiety - Orthocarboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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: Moisture sensitive.
• Refractive Index: 1.48
• Flash Point(°C): 65 °C
• Boil Point(°C): 104 °C/9.8 mmHg
• Melt Point(°C): -26 °C
• Molecular Weight: 196.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 196.11 Da
• Monoisotopic Mass: 196.11 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 126.000
• 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