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

CAS: 78-92-2 Cat. No.: B1521118 分子式: C₄H₁₀O 分子量: 74.12 Beilstein Registry Number: 773649 EC番号: 201-158-5

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

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

仕様と純度

Ultra dry,≥99.5%,water≤50 ppm

保管条件

Room temperature

入荷

FedEx DG Service

等級

Ultra dry

純度

≥99.5%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCC(C)O

WGKドイツ

1

RTECS

EO1750000

UN番号

1120

包装グループ

III

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Hygroscopic
• 屈折率: 1.397
• 引火点（°F）: 78.8℉
• 引火点（°C）: 26℃
• 沸点（°C）: 98°C
• 融点（°C）: -115°C
• 分子量: 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