Cas no 1572-93-6 ((2R)-3-methylbutan-2-ol)

(2R)-3-methylbutan-2-ol is a chiral secondary alcohol with the molecular formula C5H12O, characterized by its stereocenter at the second carbon. This optically active compound is commonly utilized in organic synthesis and pharmaceutical applications due to its role as a building block for more complex chiral molecules. Its defined stereochemistry ensures high enantioselectivity in asymmetric reactions, making it valuable for producing enantiomerically pure intermediates. The compound’s stability and moderate reactivity allow for controlled functionalization under standard laboratory conditions. Additionally, its well-characterized physical and chemical properties facilitate precise handling in research and industrial processes, contributing to reproducibility in synthetic workflows.
(2R)-3-methylbutan-2-ol structure
(2R)-3-methylbutan-2-ol structure
Product Name:(2R)-3-methylbutan-2-ol
CAS No:1572-93-6
MF:C5H12O
MW:88.1481819152832
MDL:MFCD00065949
CID:83796
PubChem ID:638099
Update Time:2025-05-25

(2R)-3-methylbutan-2-ol Chemical and Physical Properties

Names and Identifiers

    • (R)-(-)-3-Methyl-2-butanol
    • (R)-(-)-Isopropyl methyl carbinol
    • 3-methyl-2-butanol
    • (2R)-3-methylbutan-2-ol
    • 2-Butanol, 3-methyl-, (2R)-
    • AS-59232
    • EN300-89228
    • (r)-3-methylbutan-2-ol
    • 2-Butanol,3-methyl-,(2R)-
    • 1572-93-6
    • AKOS010367748
    • MFCD00065949
    • ?(R)-(-)-3-METHYL-2-BUTANOL
    • DB-406174
    • G20842
    • (r)-3-methyl-2-butanol
    • MDL: MFCD00065949
    • Inchi: 1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1
    • InChI Key: MXLMTQWGSQIYOW-RXMQYKEDSA-N
    • SMILES: O[C@H](C)C(C)C
    • BRN: 3535088

Computed Properties

  • Exact Mass: 88.08880
  • Monoisotopic Mass: 88.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 1
  • Complexity: 32.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0,81 g/cm3
  • Boiling Point: 114-115°C
  • Flash Point: 26°C
  • Refractive Index: 1.4075
  • Water Partition Coefficient: Soluble in alcohol. Insoluble in water.
  • PSA: 20.23000
  • LogP: 1.02320
  • Solubility: Not determined

(2R)-3-methylbutan-2-ol Security Information

  • Hazardous Material transportation number:UN 1105
  • Hazard Category Code: 10-20
  • Safety Instruction: S24/25
  • HazardClass:3
  • PackingGroup:III
  • Safety Term:S24/25
  • Packing Group:III
  • Packing Group:III
  • Risk Phrases:R10; R20

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(2R)-3-methylbutan-2-ol Suppliers

Amadis Chemical Company Limited
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(CAS:1572-93-6)(2R)-3-methylbutan-2-ol
Order Number:A1208816
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:58
Price ($):698.0/195.0

Additional information on (2R)-3-methylbutan-2-ol

Chemical Profile of (2R)-3-Methylbutan-2-ol (CAS No. 1572-93-6)

(2R)-3-Methylbutan-2-ol, also known by its CAS registry number CAS No. 1572-93-6, is a chiral secondary alcohol with the molecular formula C5H10O and a molecular weight of 88.15 g/mol. This compound is a derivative of butanol and exhibits a specific stereochemistry due to the presence of the (R) configuration at the second carbon atom. The compound is widely recognized in various industries, including pharmaceuticals, food additives, and specialty chemicals, due to its unique properties and versatile applications.

The chemical structure of (2R)-3-Methylbutan-2-ol consists of a four-carbon chain with a hydroxyl group (-OH) attached to the second carbon atom, which is also bonded to a methyl group (-CH(CH3)). This configuration imparts the molecule with a specific spatial arrangement, making it chiral and capable of exhibiting optical activity. The compound exists as a single enantiomer, specifically the R-enantiomer, which is crucial for its functionality in certain applications.

Recent advancements in analytical chemistry have enabled precise determination of the stereochemistry of (2R)-3-Methylbutan-2-ol. Techniques such as high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in confirming its structure and purity. These methods are essential for ensuring compliance with regulatory standards in industries where this compound is used as an intermediate or final product.

In terms of physical properties, (2R)-3-Methylbutan-2-ol has a boiling point of approximately 108°C and a melting point around -78°C. It is slightly soluble in water but exhibits good solubility in organic solvents such as ethanol and diethyl ether. These properties make it suitable for use in various chemical reactions, including esterifications and oxidations, where its reactivity can be precisely controlled.

The synthesis of (2R)-3-Methylbutan-2-ol typically involves either reduction of ketones or fermentation processes using specific microbial strains. Recent research has focused on developing environmentally friendly synthesis methods, such as enzymatic catalysis and green chemistry approaches, to minimize waste and reduce environmental impact. For instance, the use of lipase enzymes for asymmetric reductions has shown promise in producing high-purity enantiomers with excellent yields.

(2R)-3-Methylbutan-2-ol finds extensive application in the food industry as a flavoring agent and in the production of fragrances due to its pleasant odor and taste profile. It is also used as an intermediate in the synthesis of pharmaceuticals, particularly in the production of chiral drugs where stereochemistry plays a critical role in efficacy and safety.

Recent studies have highlighted the potential of (2R)-3-Methylbutan-2-ol as a precursor for bio-based chemicals, aligning with global trends toward sustainable chemistry. Its use in the production of biodegradable plastics and renewable fuels has been explored through metabolic engineering of microbial pathways, offering innovative solutions to environmental challenges.

In conclusion, (2R)-3-Methylbutan-2-ol (CAS No. 1572-936) is a versatile compound with significant applications across multiple industries. Its unique chemical properties, combined with advancements in synthesis and analytical techniques, continue to drive its relevance in both academic research and industrial production.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1572-93-6)(2R)-3-methylbutan-2-ol
A1208816
Purity:99%/99%
Quantity:5g/1g
Price ($):698.0/195.0
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