1,3-Dioxane-5,5-dimethanol - technical grade, ≥90% , CAS No.6228-25-7

CAS: 6228-25-7 Cat. No.: D466964 Fórmula: C₆H₁₂O₄ Peso molecular: 148.16

GRADE & PURITY Technical grade, ≥90%

Synonyms

[5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol | Tox21_301652 | DTXCID6024967 | NCGC00256290-01 | UNII-7J2K26L47G | 5-hydroxymethyl-1,3-dioxan-5-ylmethanol | 5,5-BIS(HYDROXYMETHYL)-1,3-DIOXANE | CAS-6228-25-7 | AKOS015913466 | PENTAERYTHRITOL MONOFORMAL | (1

Storage

Room temperature

Specifications

Sinónimos

[5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol | Tox21_301652 | DTXCID6024967 | NCGC00256290-01 | UNII-7J2K26L47G | 5-hydroxymethyl-1,3-dioxan-5-ylmethanol | 5,5-BIS(HYDROXYMETHYL)-1,3-DIOXANE | CAS-6228-25-7 | AKOS015913466 | PENTAERYTHRITOL MONOFORMAL | (1

Especificaciones y pureza

technical grade, ≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Grado técnico

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1C(COCO1)(CO)CO
• IUPAC Name: [5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
• InChIKey: ZTISUHQLYYPYFA-UHFFFAOYSA-N
• INCHI: 1S/C6H12O4/c7-1-6(2-8)3-9-5-10-4-6/h7-8H,1-5H2
• Isómeros SMILES: C1C(COCO1)(CO)CO
• Peso molecular: 148.16
• Reaxy-Rn: 105828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105828&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dioxanes
      • Subclass 1,3-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dioxanes
• Subclass: 1,3-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dioxanes
• Alternative Parents: Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Meta-dioxane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.
• 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

Propiedades químicas y físicas

• Punto de inflamación (°F): Not applicable
• Punto de inflamación (°C): Not applicable
• Punto de fusión (°C): 58-60℃ (lit.)
• Peso molecular: 148.160 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 148.074 Da
• Monoisotopic Mass: 148.074 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 91.900
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does technical grade mean?

technical grade indicates that the material has been processed and tested for specialty industrial processing. 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.

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

The CAS Number is 6228-25-7, the molecular formula is C6H12O4, and the molecular weight is 148.16 g/mol. InChIKey ZTISUHQLYYPYFA-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.