GRADE & PURITY ≥98%

Synonyms

(+/-)-2-METHYL-1-BUTANOL [FHFI] | 2-Methyl butanol-1 | 2-Methyl-Butan-1-Ol | 2-Methylbutan-1-ol | UNII-7VTJ239ASU | DL-2-METHYL-1-BUTANOL, PRACT | 2-Methyl-(2S)-1-Butanol | (RS)-2-methyl-1-butanol | (1)-2-Methylbutan-1-ol | 2-methyl 1-butanol | EN300-1262

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

(+/-)-2-METHYL-1-BUTANOL [FHFI] | 2-Methyl butanol-1 | 2-Methyl-Butan-1-Ol | 2-Methylbutan-1-ol | UNII-7VTJ239ASU | DL-2-METHYL-1-BUTANOL, PRACT | 2-Methyl-(2S)-1-Butanol | (RS)-2-methyl-1-butanol | (1)-2-Methylbutan-1-ol | 2-methyl 1-butanol | EN300-1262

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751723
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751723
• Canonical Smiles: CCC(C)CO
• IUPAC Name: 2-methylbutan-1-ol
• InChIKey: QPRQEDXDYOZYLA-UHFFFAOYSA-N
• INCHI: 1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
• Isomeric SMILES: CCC(C)CO
• WGK Germany: 1
• RTECS: EL5250000
• Alternate CAS: 34713-94-5
• UN Number: 1105
• Molecular Weight: 88.15
• Beilstein: 1839383
• Reaxy-Rn: 1718810
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718810&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: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water. [183 g/L (0 C)] and alcohol.
• Refractive Index: 1.409-1.411
• Flash Point(°F): 111.2 °F
• Flash Point(°C): 43℃
• Boil Point(°C): 130°C
• Melt Point(°C): -70°C
• Molecular Weight: 88.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 88.0888 Da
• Monoisotopic Mass: 88.0888 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 27.100
• 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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