3-Pentyn-2-ol - ≥98%(GC) , CAS No.58072-60-9

CAS: 58072-60-9 Cat. No.: P465325 Summenformel: CH₃C≡CCH(OH)CH₃ Molekulargewicht: 84.12 EG-Nummer: 626-906-1 PubChem CID: 141344

GRADE & PURITY ≥98%(GC)

Synonyms

CMLDBU00000247 | Acetamide, N-[(3-chlorophenyl)methyl]- | FT-0721779 | SY318744 | pent-3-yn-2-ol | 1-methyl-2-butyn-1-ol | EN300-92159 | MFCD00046652 | DTXSID50950026 | 3-Pentyn-2-ol | 3-Pentyn-2-ol, >=98.0% (GC) | FT-0690357 | JL-003-123

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

CMLDBU00000247 | Acetamide, N-[(3-chlorophenyl)methyl]- | FT-0721779 | SY318744 | pent-3-yn-2-ol | 1-methyl-2-butyn-1-ol | EN300-92159 | MFCD00046652 | DTXSID50950026 | 3-Pentyn-2-ol | 3-Pentyn-2-ol, >=98.0% (GC) | FT-0690357 | JL-003-123

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Kanonisches Lächeln: CC#CC(C)O
• IUPAC Name: pent-3-yn-2-ol
• InChIKey: HJFRLXPEVRXBQZ-UHFFFAOYSA-N
• INCHI: 1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3
• Isomere SMILES: CC#CC(C)O
• WGK Deutschland: 3
• PubChem CID: 141344
• Molekulargewicht: 84.12

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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• 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

• Flammpunkt (°F): 129.2 °F
• Flammpunkt (°C): 54 °C
• Siedepunkt (°C): 138-140° C (lit.)
• Schmelzpunkt (°C): -5.75° C (Predicted)
• Molekulargewicht: 84.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.0575 Da
• Monoisotopic Mass: 84.0575 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 82.600
• 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