2-Butanol - Ultra dry,≥99.5%,water≤50 ppm , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B1521118 Formule: C₄H₁₀O Poids moléculaire: 74.12 Beilstein Registry Number: 773649 Numéro CE: 201-158-5

GRADE & PURITY Ultra dry, ≥99.5%, water≤50 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Spécifications et pureté

Ultra dry,≥99.5%,water≤50 ppm

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Ultra dry

Pureté

≥99.5%

Noms et identifiants

Sourires canoniques

CCC(C)O

IUPAC Name

butan-2-ol

InChIKey

BTANRVKWQNVYAZ-UHFFFAOYSA-N

INCHI

1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3

Isomères SMILES

CCC(C)O

WGK Allemagne

1

RTECS

EO1750000

Numéro ONU

1120

Groupe d'emballage

III

Poids moléculaire

74.12

Beilstein

773649

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
    • 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: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Indice de réfraction: 1.397
• Point d'éclair (°F): 78.8℉
• Point d'éclair (°C): 26℃
• Point d'ébullition (°C): 98°C
• Point de fusion (°C): -115°C
• Poids moléculaire: 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: 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