(S)-(+)-2-Butanol - ≥98%(GC) , CAS No.4221-99-2

CAS: 4221-99-2 Cat. No.: S138824 Molecular Weight: 74.12 Beilstein Registry Number: 1718763 EC Number: 224-168-1

GRADE & PURITY ≥98%(GC)

Synonyms

(5)-(+)-sec-butanol | BUTYL ALCOHOL D-FORM [MI] | (+)-2-Butanol | (S)-2-butanol | AKOS006240738 | (s)-sec-butyl alcohol | (S)-(+)-2-Butanol, 98% | Z-VAD(OH)-FMK (Caspase Inhibitor VI).cd | (S)-(+)-sec-Butyl alcohol | CHEBI:45475 | DOCOSAPENTAENOIC ACID [W

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(5)-(+)-sec-butanol | BUTYL ALCOHOL D-FORM [MI] | (+)-2-Butanol | (S)-2-butanol | AKOS006240738 | (s)-sec-butyl alcohol | (S)-(+)-2-Butanol, 98% | Z-VAD(OH)-FMK (Caspase Inhibitor VI).cd | (S)-(+)-sec-Butyl alcohol | CHEBI:45475 | DOCOSAPENTAENOIC ACID [W

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504758830
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758830
• Canonical Smiles: CCC(C)O
• IUPAC Name: (2S)-butan-2-ol
• InChIKey: BTANRVKWQNVYAZ-BYPYZUCNSA-N
• INCHI: 1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1
• Isomeric SMILES: CC[C@H](C)O
• WGK Germany: 1
• RTECS: EO1750000
• Molecular Weight: 74.12
• Beilstein: 1718763
• Reaxy-Rn: 773649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773649&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: Secondary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
• External Descriptors: butan-2-ol

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; Miscible with Ether,Alcohol
• Refractive Index: n20/D 1.397
• Specific Rotation[α]: 13° (neat)
• Flash Point(°F): 75.2 °F
• Flash Point(°C): 24 °C
• Boil Point(°C): 99-100 °C
• Molecular Weight: 74.120 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 74.0732 Da
• Monoisotopic Mass: 74.0732 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 19.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

1. Chen-Yan Zheng, Hai-Long Qian, Cheng Yang, Xu-Qin Ran, Xiu-Ping Yan.  (2023)  Pure Covalent-Organic Framework Membrane as a Label-Free Biomimetic Nanochannel for Sensitive and Selective Sensing of Chiral Flavor Substances.  ACS Sensors,      [PMID:38054443] [10.1021/acssensors.3c01849]