(±)-2-Pentanol - Standard for GC, ≥99.5%(GC) , CAS No.6032-29-7

CAS: 6032-29-7 Cat. No.: P103442 Formule: C₅H₁₂O Poids moléculaire: 88.15 Beilstein Registry Number: 1718819 Numéro CE: 227-907-6

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

Synonymes

(+/-)-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

Spécifications et pureté

Standard for GC, ≥99.5%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Standard for GC

Pureté

≥99.5%(GC)

Noms et identifiants

• Pubchem Sid: 528769921
• Sourires canoniques: 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
• Isomères SMILES: CCCC(C)O
• WGK Allemagne: 1
• RTECS: SA4900000
• Numéro ONU: 1987
• Groupe d'emballage: I
• Poids moléculaire: 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
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.406
• Point d'éclair (°F): 93.2 °F
• Point d'éclair (°C): 34℃
• Point d'ébullition (°C): 118-119°C
• Poids moléculaire: 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