spiro[2.3]hexan-4-ol - ≥97% , CAS No.21816-25-1

CAS: 21816-25-1 Cat. No.: S632059 Formula: C₆H₁₀O Molecular Weight: 98.14 EC Number: 986-151-1 PubChem CID: 12431565

GRADE & PURITY ≥97%

Synonyms

Spiro[2.3]hexan-4-ol | EN300-7585448 | DTXSID20498006 | SB22710 | spiro[2.3]hexan-6-ol | AKOS026717058 | F2147-4386 | D96738 | PS-17241 | MFCD30002909

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Spiro[2.3]hexan-4-ol | EN300-7585448 | DTXSID20498006 | SB22710 | spiro[2.3]hexan-6-ol | AKOS026717058 | F2147-4386 | D96738 | PS-17241 | MFCD30002909

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2(C1O)CC2
• IUPAC Name: spiro[2.3]hexan-6-ol
• InChIKey: RUZFXXZSPJQNDV-UHFFFAOYSA-N
• INCHI: 1S/C6H10O/c7-5-1-2-6(5)3-4-6/h5,7H,1-4H2
• Isomeric SMILES: C1CC2(C1O)CC2
• Alternate CAS: 21816-25-1
• PubChem CID: 12431565
• Molecular Weight: 98.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Secondary alcohol - Cyclobutanol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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: 98.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 98.0732 Da
• Monoisotopic Mass: 98.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 94.400
• 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 21816-25-1, the molecular formula is C6H10O, and the molecular weight is 98.14 g/mol. InChIKey RUZFXXZSPJQNDV-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.