3-Butyn-2-ol - ≥97% , CAS No.2028-63-9

CAS: 2028-63-9 Cat. No.: B106248 Molecular Weight: 70.09 Beilstein Registry Number: 1(4)2218 EC Number: 217-978-1

GRADE & PURITY ≥97%

Synonyms

3-but-1-ynol | BCP05896 | BRN 0635722 | .alpha.-Methylpropargyl alcohol | 1-Ethynylethanol | (+/-)-3-butyn-2-ol | 1-methylprop-2-ynol | 1-Methylpropargyl alcohol | 1-Methyl-2-propynyl alcohol | B1001 | HC.$.CCH(CH3)OH | MFCD00004541 | 3-Butyn-2-ol | B0750

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyms

3-but-1-ynol | BCP05896 | BRN 0635722 | .alpha.-Methylpropargyl alcohol | 1-Ethynylethanol | (+/-)-3-butyn-2-ol | 1-methylprop-2-ynol | 1-Methylpropargyl alcohol | 1-Methyl-2-propynyl alcohol | B1001 | HC.$.CCH(CH3)OH | MFCD00004541 | 3-Butyn-2-ol | B0750

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C#C)O
• WGK Germany: 3
• RTECS: ES0709800
• UN Number: 2929
• Packing Group: II
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Miscible with Methanol
• Refractive Index: 1.425-1.427
• Flash Point(°C): 34℃
• Boil Point(°C): 66-67 °C/150 mmHg
• Molecular Weight: 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

References

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2. Ji Xiaoli, Chen Fan, Liu Jian, Ma Qianqian, Qiao Ruochen, Xu Zhihao.  (2024)  Synthesis of MWCNTs/Si3N4 Nanocomposites Via Click Chemistry and Electromagnetic Wave-Absorption Properties.  JOURNAL OF ELECTRONIC MATERIALS,      [PMID:] [10.1007/s11664-024-11601-z]

3. Ji Xiaoli, Ma Qianqian, Liu Jian, Yuan Haoze, Ma Xukai.  (2024)  Synthesis of TiO2/MWCNTs nanocomposites by click chemistry and its microwave absorption properties.  BULLETIN OF MATERIALS SCIENCE,  47  (3): (1-13).  [PMID:] [10.1007/s12034-024-03250-z]

4. Xiaoli Ji, Fan Chen, Jian Liu, Qianqian Ma, Zhihao Xu, Ruochen Qiao.  (2025)  Preparation of MWCNTs/Si3N4/PPy ternary composites via click chemistry and wave-absorbing properties.  VACUUM,      [PMID:] [10.1016/j.vacuum.2025.114570]

5. Yun Fang, Yong Yan, Xiayan Wang, Guangsheng Guo.  (2025)  Bimetallic PdCu nanohybrid sheets for enhanced electrocatalytic selective semi-hydrogenation of alkynols.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164620]