3-Buten-1-ol - ≥98% , CAS No.627-27-0

CAS: 627-27-0 Cat. No.: B120318 Peso molecular: 72.11 Beilstein Registry Number: 1633504 Número EC: 210-991-3

GRADE & PURITY ≥98%

Synonyms

hydroxy-3-butene | Allylcarbinol

Storage

Room temperature

Shipped In

Normal

Descripción general

el 3-buten-1-ol es un alcohol homoalílico que puede prepararse mediante la deshidratación del 1,4-butanodiol utilizando un catalizador de cerio. Se ha estudiado la reacción de alquilación del 3-buten-1-ol utilizando un sistema de titanio-organoaluminio. La entalpía de formación en fase gaseosa es de -147,3 ± 1,8kJ mol-1
También se ha utilizado en un estudio de la conversión de acetatos propargílicos en éteres catalizados por cloruro férrico.

Specifications

Sinónimos

hydroxy-3-butene | Allylcarbinol

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488184312
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184312
• Sonrisas canónicas: C=CCCO
• IUPAC Name: but-3-en-1-ol
• InChIKey: ZSPTYLOMNJNZNG-UHFFFAOYSA-N
• INCHI: 1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
• Isómeros SMILES: C=CCCO
• WGK Alemania: 3
• Peso molecular: 72.11
• Beilstein: 1633504
• Reaxy-Rn: 1633504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633504&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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (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

• Solubilidad: Soluble in water.
• Índice de refracción: 1.421
• Punto de inflamación (°F): 91.4 °F
• Punto de inflamación (°C): 33°C
• Punto de ebullición (°C): 114°C
• Peso molecular: 72.110 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 72.0575 Da
• Monoisotopic Mass: 72.0575 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 24.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Siyuan Jiang, Yufei Liu, Xiaoyu Zou, Min He, Kai Zhang, Guomin Xu, Shuhao Qin.  (2021)  Synthesis and application of new macromolecular hindered phenol antioxidants of polyamide 6.  JOURNAL OF APPLIED POLYMER SCIENCE,  138  (40): (51184).  [PMID:] [10.1002/app.51184]

2. Li Zhang, Dongjian Shi, Yunyun Gao, Tianyang Zhou, Mingqing Chen.  (2020)  Phenylboronic acid-functionalized unimolecular micelles based on a star polyphosphoester random copolymer for tumor-targeted drug delivery.  Polymer Chemistry,  11  (12): (2252-2261).  [PMID:] [10.1039/D0PY00008F]

3. Teng Wang, Tianqi Xu, Hao Yuan, Lang Xu, Ying Cai, Tian Zuo, Wenjing Liu, Jiawen Zhang, Lingmin Yi.  (2025)  Protein-resistant surface coatings formed by mixed polymer brushes of fluorosiloxane and zwitterion.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2025.109560]

4. Miao Dong, Xinrui Lin, Xinyi Liu, Xiaodong Xu, Junhua Chen, Jianxin Yang.  (2025)  BIT-Triazine Acrylate Resins as High-Performance Sustainable Coatings for Marine Antifouling Applications.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01800]

5. Honglei Wang, Chuhan Sun, Xingui Zhou, Jinshan Yu.  (2026)  Fabrication and oxy-acetylene ablation behavior of Cf/TaC composites from an unsaturated TaC precursor.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2026.01.066]