2-Butanol - analytical standard, ≥99.9%(GC) , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B110365 分子式: C₄H₁₀O 分子量: 74.12 Beilstein Registry Number: 773649 EC番号: 201-158-5

GRADE & PURITY Analytical standard, ≥99.9%(GC)

Synonyms

2-Butanol|Butan-2-ol|sec-Butanol|SEC-BUTYL ALCOHOL|78-92-2|2-Hydroxybutane|2-Butyl alcohol|Butylene hydrate|1-Methyl-1-propanol|1-Methylpropyl alcohol|s-Butyl alcohol|Methyl ethyl carbinol|s-Butanol|Ethyl methyl carbinol|Butanol secondaire|Butanol-2|1-Met

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

同義語

2-Butanol | Butan-2-ol | sec-Butanol | SEC-BUTYL ALCOHOL | 78-92-2 | 2-Hydroxybutane | 2-Butyl alcohol | Butylene hydrate | 1-Methyl-1-propanol | 1-Methylpropyl alcohol | s-Butyl alcohol | Methyl ethyl carbinol | s-Butanol | Ethyl methyl carbinol | Butanol secondaire | Butanol-2 | 1-Met

仕様と純度

analytical standard, ≥99.9%(GC)

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質

純度

≥99.9%(GC)

名前と識別子

パブケム・シド

508812412

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

関連ターゲット（人間）

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 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