GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

(+/-)-2-Pentanol | EINECS 227-907-6 | InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H | Pentanol, sec- | P0056 | BRN 1718819 | MFCD00004579 | STL146572 | 2-Hydroxypentane | FEMA 3316 | 2-PENTANOL | Pentan-2-ol; 2-Pentanol | Methylbutan-1-ol | 2-Pentanol, >=9

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

(+/-)-2-Pentanol | EINECS 227-907-6 | InChI=1/C5H12O/c1-3-4-5(2)6/h5-6H, 3-4H2, 1-2H | Pentanol, sec- | P0056 | BRN 1718819 | MFCD00004579 | STL146572 | 2-Hydroxypentane | FEMA 3316 | 2-PENTANOL | Pentan-2-ol; 2-Pentanol | Methylbutan-1-ol | 2-Pentanol, >=9

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

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

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CCCC(C)O
• IUPAC Name: pentan-2-ol
• InChIKey: JYVLIDXNZAXMDK-UHFFFAOYSA-N
• INCHI: 1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
• Isomeric SMILES: CCCC(C)O
• WGK Germany: 1
• RTECS: SA4900000
• UN Number: 1987
• Packing Group: I
• Molecular Weight: 88.15
• Beilstein: 1718819
• Reaxy-Rn: 1718819
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718819&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: secondary alcohol

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

• Refractive Index: 1.406
• Flash Point(°F): 93.2 °F
• Flash Point(°C): 34℃
• Boil Point(°C): 118-119°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