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

CAS: 2028-63-9 Cat. No.: B301756 Summenformel: C₄H₆O Molekulargewicht: 70.09 Beilstein Registry Number: 1(4)2218 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

55% in water

Storage

Store at 2-8°C

Verschickt in

Wet ice,FedEx DG Service

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

Namen und Kennungen

• Pubchem Sid: 504752736
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752736
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(C#C)O
• WGK Deutschland: 3
• RTECS: ES0709800
• UN-Nummer: 2929
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • 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: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Acetylide - 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

• Brechungsindex: 1.425-1.427
• Flammpunkt (°C): 34℃
• Siedepunkt (°C): 66-67 °C/150 mmHg
• Molekulargewicht: 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

Häufig gestellte Fragen

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.