1-ethynylcyclobutanol - ≥97% , CAS No.98135-75-2

CAS: 98135-75-2 Cat. No.: E635375 Summenformel: C₆H₈O Molekulargewicht: 96.13 EG-Nummer: 827-795-4 PubChem CID: 22597429

GRADE & PURITY ≥97%

Synonyms

DTXSID20626746 | Cyclobutanol, 1-ethynyl- | 1-ethynylcyclobutanol | 1-ethynyl-cyclobutanol | 1-ethynylcyclobutan-1-ol | EN300-179304 | F8888-2306 | MFCD20485796 | A1-30020 | AKOS017632508 | D96869 | SY160498 | MXZYOPVAKCCOJN-UHFFFAOYSA-N | PS-18511

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

DTXSID20626746 | Cyclobutanol, 1-ethynyl- | 1-ethynylcyclobutanol | 1-ethynyl-cyclobutanol | 1-ethynylcyclobutan-1-ol | EN300-179304 | F8888-2306 | MFCD20485796 | A1-30020 | AKOS017632508 | D96869 | SY160498 | MXZYOPVAKCCOJN-UHFFFAOYSA-N | PS-18511

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C#CC1(CCC1)O
• IUPAC Name: 1-ethynylcyclobutan-1-ol
• InChIKey: MXZYOPVAKCCOJN-UHFFFAOYSA-N
• INCHI: 1S/C6H8O/c1-2-6(7)4-3-5-6/h1,7H,3-5H2
• Isomere SMILES: C#CC1(CCC1)O
• Alternative CAS-Nummer: 98135-75-2
• PubChem CID: 22597429
• Molekulargewicht: 96.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Alpha,beta-unsaturated carbonyl compounds
          • Ebene6 Alpha,beta-unsaturated ketones
            • Ebene7 Ynones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Ynones
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Ynone - Tertiary alcohol - Cyclobutanol - Acetylide - Hydrocarbon derivative - Alcohol - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as ynones. These are organic compounds containing the ynone functional group, an alpha,beta unsaturated ketone group with the general structure RC#C-C(=O)R' (R' not H).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 96.130 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 96.0575 Da
• Monoisotopic Mass: 96.0575 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 113.000
• 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

Häufig gestellte Fragen

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 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 98135-75-2, the molecular formula is C6H8O, and the molecular weight is 96.13 g/mol. InChIKey MXZYOPVAKCCOJN-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.