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

CAS: 78-92-2 Cat. No.: B1521118 Formula: C₄H₁₀O Molecular Weight: 74.12 Beilstein Registry Number: 773649 EC Number: 201-158-5

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

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Specifications & Purity

Ultra dry,≥99.5%,water≤50 ppm

Storage

Room temperature

Shipped In

FedEx DG Service

Grade

Ultra dry

Purity

≥99.5%

Names and Identifiers

Canonical Smiles

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

Isomeric SMILES

CCC(C)O

WGK Germany

1

RTECS

EO1750000

UN Number

1120

Packing Group

III

Molecular Weight

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
    • 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: 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Refractive Index: 1.397
• Flash Point(°F): 78.8℉
• Flash Point(°C): 26℃
• Boil Point(°C): 98°C
• Melt Point(°C): -115°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: 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