2-Butanol - anhydrous, ≥99.5% , CAS No.78-92-2

CAS: 78-92-2 Cat. No.: B110361 Fórmula: C₄H₁₀O Peso molecular: 74.12 Beilstein Registry Number: 773649 Número CE: 201-158-5

GRADE & PURITY Anhydrous Grade, ≥99.5%

Synonyms

2-Butanol (natural) | rac-2-butanol | Butanol secondaire (French) | Methylethyl carbinol | 2-Butanol, CP grade | SY050112 | Butanol-2 | sec. butyl alcohol | Caswell No. 119C | NSC25499 | NSC-25499 | sec.-butanol | Butane, 2-hydroxy- | CCS 301 | n-Butan-2-

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

2-Butanol (natural) | rac-2-butanol | Butanol secondaire (French) | Methylethyl carbinol | 2-Butanol, CP grade | SY050112 | Butanol-2 | sec. butyl alcohol | Caswell No. 119C | NSC25499 | NSC-25499 | sec.-butanol | Butane, 2-hydroxy- | CCS 301 | n-Butan-2-

Especificações e pureza

anhydrous, ≥99.5%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Anhydrous Grade

Pureza

≥99.5%

Nomes e identificadores

• Pubchem Sid: 504751126
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751126
• Sorrisos canónicos: 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
• SMILES isoméricas: CCC(C)O
• WGK Alemanha: 1
• RTECS: EO1750000
• Número UN: 1120
• Grupo de embalagem: 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
    • 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Índice de refração: 1.397
• Ponto de inflamação (°F): 78.8℉
• Ponto de inflamação (°C): 26℃
• Ponto de ebulição (°C): 98°C
• Ponto de fusão (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99.5% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What does Anhydrous Grade mean?

Anhydrous Grade indicates that the material has been processed and tested for moisture-sensitive chemistry. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 78-92-2, the molecular formula is C4H10O, and the molecular weight is 74.12 g/mol. InChIKey BTANRVKWQNVYAZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.