(2,2-diethoxycyclobutyl)methanol - ≥97% , CAS No.23153-61-9

CAS: 23153-61-9 Cat. No.: M635817 Formula: C₉H₁₈O₃ Molecular Weight: 174.24 PubChem CID: 57376020

GRADE & PURITY ≥97%

Synonyms

DTXSID70725091 | SB22514 | F86017 | CYCLOBUTANEMETHANOL, 2,2-DIETHOXY- | PS-17200 | (2,2-diethoxycyclobutyl)methanol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID70725091 | SB22514 | F86017 | CYCLOBUTANEMETHANOL, 2,2-DIETHOXY- | PS-17200 | (2,2-diethoxycyclobutyl)methanol

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Canonical Smiles

CCOC1(CCC1CO)OCC

IUPAC Name

(2,2-diethoxycyclobutyl)methanol

InChIKey

XSZVIWZYTWVMEL-UHFFFAOYSA-N

INCHI

1S/C9H18O3/c1-3-11-9(12-4-2)6-5-8(9)7-10/h8,10H,3-7H2,1-2H3

Isomeric SMILES

CCOC1(CCC1CO)OCC

Alternate CAS

23153-61-9

PubChem CID

57376020

Molecular Weight

174.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

• Molecular Weight: 174.240 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 174.126 Da
• Monoisotopic Mass: 174.126 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 23153-61-9, the molecular formula is C9H18O3, and the molecular weight is 174.24 g/mol. InChIKey XSZVIWZYTWVMEL-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.