1,3-Dioxlane - ≥99.5%, stabilized with 75 ppm , CAS No.646-06-0

CAS: 646-06-0 Cat. No.: D105894 Formula: C₃H₆O₂ Molecular Weight: 74.08 Beilstein Registry Number: 19,2 EC Number: 211-463-5

GRADE & PURITY ≥99.5%, stabilized with 75 ppm

Synonyms

5-Crown-2 | 1,3-DIOXOLANE [HSDB] | D89731 | NCGC00248143-01 | DIOXOLANE [INCI] | HSDB 5737 | Y57RBG19JL | Dioxolane, 1,3- | DTXCID107284 | Ethylene glycol methylene ether | AKOS015856096 | 1,3-Dioxolane (stabilized with BHT) | [1,3]dioxolane | A834826 | D

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

5-Crown-2 | 1,3-DIOXOLANE [HSDB] | D89731 | NCGC00248143-01 | DIOXOLANE [INCI] | HSDB 5737 | Y57RBG19JL | Dioxolane, 1,3- | DTXCID107284 | Ethylene glycol methylene ether | AKOS015856096 | 1,3-Dioxolane (stabilized with BHT) | [1,3]dioxolane | A834826 | D

Specifications & Purity

≥99.5%, stabilized with 75 ppm

Biochemical and Physiological Mechanisms

1,3-Dioxolane is an intermediate for the preparation of Acyclovir-d4.

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99.5%

Names and Identifiers

Pubchem Sid

508807023

Canonical Smiles

C1COCO1

IUPAC Name

1,3-dioxolane

InChIKey

WNXJIVFYUVYPPR-UHFFFAOYSA-N

INCHI

1S/C3H6O2/c1-2-5-3-4-1/h1-3H2

Isomeric SMILES

C1COCO1

WGK Germany

1

UN Number

1166

Packing Group

II

Molecular Weight

74.08

Beilstein

19,2

Reaxy-Rn

102453

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolanes
      • Subclass 1,3-dioxolanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolanes
• Subclass: 1,3-dioxolanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxolanes
• Alternative Parents: Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dioxolanes. These are organic compounds containing 1,3-dioxolane, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3.
• External Descriptors: dioxolane - cyclic acetal

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

• Solubility: Soluble in Chloroform, Dichloromethane, Ethanol, Ethyl Acetate and Methanol.
• Sensitivity: Heat & Air sensitive.
• Refractive Index: 1.399-1.401
• Flash Point(°F): 26.6 °F
• Flash Point(°C): -6℃
• Boil Point(°C): 75°C
• Melt Point(°C): -95°C
• Molecular Weight: 74.080 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 74.0368 Da
• Monoisotopic Mass: 74.0368 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.100
• 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