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

CAS: 513-42-8 Cat. No.: M107570 Formula: CH₂=C(CH₃)CH₂OH Molecular Weight: 72.11 Beilstein Registry Number: 969226 EC Number: 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

Overview

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

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

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

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

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751968
• Canonical Smiles: 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
• Isomeric SMILES: CC(=C)CO
• WGK Germany: 3
• RTECS: UD5250000
• UN Number: 2614
• Packing Group: III
• Molecular Weight: 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
    • 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: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air & Heat Sensitive
• Refractive Index: 1.425-1.427
• Flash Point(°F): 89.6 °F
• Flash Point(°C): 33 °C
• Boil Point(°C): 113-115°C
• Melt Point(°C): -50°C
• Molecular Weight: 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

References

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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]

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