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

CAS: 58072-60-9 Cat. No.: P465325 Formula: CH₃C≡CCH(OH)CH₃ Peso molecolare: 84.12 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC#CC(C)O
• WGK Germania: 3
• PubChem CID: 141344
• Peso molecolare: 84.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 129.2 °F
• Punto di infiammabilità (°C): 54 °C
• Punto di ebollizione (°C): 138-140° C (lit.)
• Punto di fusione (°C): -5.75° C (Predicted)
• Peso molecolare: 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