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

CAS: 78-92-2 Cat. No.: B110365 Fórmula: C₄H₁₀O Peso molecular: 74.12 Beilstein Registry Number: 773649 Número EC: 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

Sinónimos

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

Especificaciones y pureza

analytical standard, ≥99.9%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Grado

Analytical standard

Pureza

≥99.9%(GC)

Nombres e identificadores

Pubchem Sid

508812412

Sonrisas canónicas

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

Isómeros SMILES

CCC(C)O

WGK Alemania

1

RTECS

EO1750000

Número ONU

1120

Grupo de embalaje

III

Peso molecular

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
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Tetrahymena pyriformis (68 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.397
• Punto de inflamación (°F): 78.8℉
• Punto de inflamación (°C): 26℃
• Punto de ebullición (°C): 98°C
• Punto de fusión (°C): -115°C
• Peso molecular: 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