2-Methyl-2-pentanol - ≥96% , CAS No.590-36-3

CAS: 590-36-3 Cat. No.: M158747 Fórmula: C₆H₁₄O Peso molecular: 102.18 Beilstein Registry Number: 1718950 Número CE: 209-681-0

GRADE & PURITY ≥96%

Synonyms

DTXSID4060440 | AKOS009156538 | EN300-61549 | UN 2560 | 1,1-Dimethylbutanol | 2-METHYL-2-AMYL ALCOHOL | 2-Methylpentan-2-ol [UN2560] [Flammable liquid] | M1178 | Dimethyl propyl carbinol | Methyl-2 pentanol-2 | 2-Methyl-2-pentanol, 99% | 2-Hydroxy-2-meth

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Visão geral

2-Methyl-2-pentanol is a metabolite found in the urine of rats exposed to methylpentane.
2-Methyl-2-pentanol has been used to study its antagonist activity. It reacts with a second target site to alter the spatial relation between the hydrophobic agonist binding site and the allosteric site.

Specifications

Sinónimos

DTXSID4060440 | AKOS009156538 | EN300-61549 | UN 2560 | 1,1-Dimethylbutanol | 2-METHYL-2-AMYL ALCOHOL | 2-Methylpentan-2-ol [UN2560] [Flammable liquid] | M1178 | Dimethyl propyl carbinol | Methyl-2 pentanol-2 | 2-Methyl-2-pentanol, 99% | 2-Hydroxy-2-meth

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

• Sorrisos canónicos: CCCC(C)(C)O
• IUPAC Name: 2-methylpentan-2-ol
• InChIKey: WFRBDWRZVBPBDO-UHFFFAOYSA-N
• INCHI: 1S/C6H14O/c1-4-5-6(2,3)7/h7H,4-5H2,1-3H3
• SMILES isoméricas: CCCC(C)(C)O
• WGK Alemanha: 3
• Número UN: 2560
• Grupo de embalagem: III
• Peso molecular: 102.18
• Beilstein: 1718950
• Reaxy-Rn: 1718951
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1718951&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: Tertiary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: Not available

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.41
• Ponto de inflamação (°F): 86°F
• Ponto de inflamação (°C): 30℃
• Ponto de ebulição (°C): 120-122℃
• Ponto de fusão (°C): -103℃
• Peso molecular: 102.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 102.104 Da
• Monoisotopic Mass: 102.104 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1