1,3-Dioxlane - anhydrous, ≥99.8%, stabilized with 75 ppm BHT , CAS No.646-06-0

CAS: 646-06-0 Cat. No.: D119723 Formula: C₃H₆O₂ Molecular Weight: 74.08 Beilstein Registry Number: 19,2 EC Number: 211-463-5

GRADE & PURITY Anhydrous Grade, ≥99.8%, stabilized with 75 ppm BHT

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

anhydrous, ≥99.8%, stabilized with 75 ppm BHT

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99.8%

Names and Identifiers

Pubchem Sid

504752369

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752369

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

• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99.8% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 646-06-0, the molecular formula is C3H6O2, and the molecular weight is 74.08 g/mol. InChIKey WNXJIVFYUVYPPR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.