2-Methyl-2-propen-1-ol - ≥99% , CAS No.513-42-8

CAS: 513-42-8 Cat. No.: M107570 Fórmula: CH₂=C(CH₃)CH₂OH Peso molecular: 72.11 Beilstein Registry Number: 969226 Número EC: 208-161-0

GRADE & PURITY ≥99%

Synonyms

2-methallyl alcohol | MFCD00004737 | .beta.-Methallyl alcohol | InChI=1/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H | STR09045 | 2-Methyl-2-propene-1-ol | beta-Methylallyl alcohol | UNII-H2T2UK4JAP | Isopropenyl carbinol | EINECS 208-161-0 | H10780 | METHALLYL ALCOHOL

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

The rate coefficient for gas-phase reaction of 2-Methyl-2-propen-1-ol (MePro) with OH radical can be determined by the relative rate method or by using the pulsed laser photolysis-laser induced fluorescence technique.

2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.

Specifications

Sinónimos

2-methallyl alcohol | MFCD00004737 | .beta.-Methallyl alcohol | InChI=1/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H | STR09045 | 2-Methyl-2-propene-1-ol | beta-Methylallyl alcohol | UNII-H2T2UK4JAP | Isopropenyl carbinol | EINECS 208-161-0 | H10780 | METHALLYL ALCOHOL

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

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.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504751968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751968
• Sonrisas canónicas: CC(=C)CO
• IUPAC Name: 2-methylprop-2-en-1-ol
• InChIKey: BYDRTKVGBRTTIT-UHFFFAOYSA-N
• INCHI: 1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
• Isómeros SMILES: CC(=C)CO
• WGK Alemania: 3
• RTECS: UD5250000
• Número ONU: 2614
• Grupo de embalaje: III
• Peso molecular: 72.11
• Beilstein: 969226
• Reaxy-Rn: 969226
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969226&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.
• Sensibilidad: Air & Heat Sensitive
• Índice de refracción: 1.425-1.427
• Punto de inflamación (°F): 89.6 °F
• Punto de inflamación (°C): 33 °C
• Punto de ebullición (°C): 113-115°C
• Punto de fusión (°C): -50°C
• Peso molecular: 72.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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: 38.900
• 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. Mengqi Xu, Pengcheng Meng, Hongyan Wang, Jun Liu, Tao Guo, Zhenjie Zhu, Yanlan Bi.  (2023)  Synthesis, Characterization and Evaluation of a Novel Tetraphenolic Compound as a Potential Antioxidant.  Antioxidants,  12  (7): (1473).  [PMID:37508011] [10.3390/antiox12071473]

2. Huiting He, Min Zheng, Qiang Liu, Jian Liu, Juan Zhao, Yuting Zhuang, Xianxiang Liu, Qiong Xu, Steven R. Kirk, Dulin Yin.  (2022)  Hydroxyl-assisted selective epoxidation of perillyl alcohol with hydrogen peroxide by vanadium-substituted phosphotungstic acid hinged on imidazolyl activated carbon.  NEW JOURNAL OF CHEMISTRY,  46  (14): (6636-6645).  [PMID:] [10.1039/D2NJ00040G]

3. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Xiaojiong Luo, Chao Feng.  (2021)  Efficient magnetically separable heterogeneous platinum catalyst bearing imidazolyl schiff base ligands for hydrosilylation.  JOURNAL OF ORGANOMETALLIC CHEMISTRY,      [PMID:] [10.1016/j.jorganchem.2021.121714]

4. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Yangfei Hu, Chao Feng.  (2020)  Platinum-Imidazolyl Schiff Base Complexes Immobilized in Periodic Mesoporous Organosilica Frameworks as Catalysts for Hydrosilylation.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (8): (e5697).  [PMID:] [10.1002/aoc.5697]

5. Yu Ye-peng, Li Zhao-hui, Lin Xuan, Chen Jun, Zhang Hang, Li Yan-bo, Wang Huang-huang, Sun Rui-rui, Meng Qing-hui, Shan Xiao-bin, Liu Fu-yi, Sheng Liu-si.  (2019)  Photoionization and dissociation study of 2-methyl-2-propen-1-ol: Experimental and theoretical insights.  CHINESE JOURNAL OF CHEMICAL PHYSICS,  32  (3): (306-312).  [PMID:] [10.1063/1674-0068/cjcp1805089]

6. Wenda Hu, Yan Wan, Lili Zhu, Xiaojie Cheng, Shaolong Wan, Jingdong Lin, Yong Wang.  (2017)  A Strategy for the Simultaneous Synthesis of Methallyl Alcohol and Diethyl Acetal with Sn-β.  ChemSusChem,  10  (23): (4715-4724).  [PMID:28926196] [10.1002/cssc.201701435]

7. Yang Zheng, Tongkui Yue, Guanghui Cui, Yi Sun, Wei Liu, Jun Liu, Zhanpeng Wu.  (2025)  Synthesis of Chlorinated Polyphosphazenes with Improved Interfacial Strength for Novel Flexible Heat Shielding Materials.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.5c00137]

8. 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]