2-methylhex-5-yn-2-ol - ≥97% , CAS No.153509-05-8

CAS: 153509-05-8 Cat. No.: M629601 Summenformel: C₇H₁₂O Molekulargewicht: 112.17 EG-Nummer: 864-740-3 PubChem CID: 10996988

GRADE & PURITY ≥97%

Synonyms

MFCD18851990 | D79338 | AS-78764 | 5-Hexyn-2-ol, 2-methyl- | EN300-4995349 | starbld0047710 | AKOS012967398 | 2-methylhex-5-yn-2-ol | SY323083 | HBDIAYVNLDXHSZ-UHFFFAOYSA-N | SCHEMBL4646418

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD18851990 | D79338 | AS-78764 | 5-Hexyn-2-ol, 2-methyl- | EN300-4995349 | starbld0047710 | AKOS012967398 | 2-methylhex-5-yn-2-ol | SY323083 | HBDIAYVNLDXHSZ-UHFFFAOYSA-N | SCHEMBL4646418

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC(C)(CCC#C)O
• IUPAC Name: 2-methylhex-5-yn-2-ol
• InChIKey: HBDIAYVNLDXHSZ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c1-4-5-6-7(2,3)8/h1,8H,5-6H2,2-3H3
• Isomere SMILES: CC(C)(CCC#C)O
• Alternative CAS-Nummer: 153509-05-8
• PubChem CID: 10996988
• Molekulargewicht: 112.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (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: 112.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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 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 153509-05-8, the molecular formula is C7H12O, and the molecular weight is 112.17 g/mol. InChIKey HBDIAYVNLDXHSZ-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.