3-Butyn-2-ol - 55% in water , CAS No.2028-63-9

CAS: 2028-63-9 Cat. No.: B301756 Fórmula: C₄H₆O Peso molecular: 70.09 Beilstein Registry Number: 1(4)2218 Número EC: 217-978-1

GRADE & PURITY 55% in water

Synonyms

3-Butyn-2-ol|but-3-yn-2-ol|2028-63-9|3-Butyne-2-ol|3-Hydroxy-1-butyne|1-BUTYN-3-OL|1-Methylpropargyl alcohol|Methylethynylcarbinol|1-Ethynylethanol|1-Methyl-2-propynyl alcohol|65337-13-5|.alpha.-Methylpropargyl alcohol|(+/-)-3-butyn-2-ol|Ethynylmethylcarb

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

3-Butyn-2-ol | but-3-yn-2-ol | 2028-63-9 | 3-Butyne-2-ol | 3-Hydroxy-1-butyne | 1-BUTYN-3-OL | 1-Methylpropargyl alcohol | Methylethynylcarbinol | 1-Ethynylethanol | 1-Methyl-2-propynyl alcohol | 65337-13-5 | .alpha.-Methylpropargyl alcohol | (+/-)-3-butyn-2-ol | Ethynylmethylcarb

Especificaciones y pureza

55% in water

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Pubchem Sid

504752736

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752736

Sonrisas canónicas

CC(C#C)O

IUPAC Name

but-3-yn-2-ol

InChIKey

GKPOMITUDGXOSB-UHFFFAOYSA-N

INCHI

1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3

Isómeros SMILES

CC(C#C)O

WGK Alemania

3

RTECS

ES0709800

Número ONU

2929

Grupo de embalaje

II

Peso molecular

70.09

Beilstein

1(4)2218

Reaxy-Rn

635722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635722&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Secondary alcohols
• Alternative Parents: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: 1.425-1.427
• Punto de inflamación (°C): 34℃
• Punto de ebullición (°C): 66-67 °C/150 mmHg
• Peso molecular: 70.090 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 70.0419 Da
• Monoisotopic Mass: 70.0419 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 57.300
• 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

Preguntas frecuentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2028-63-9, the molecular formula is C4H6O, and the molecular weight is 70.09 g/mol. InChIKey GKPOMITUDGXOSB-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.