2,4-Dimethyl-3-pentanol - ≥99%(GC) , CAS No.600-36-2

CAS: 600-36-2 Cat. No.: D154153 Fórmula: C₇H₁₆O Peso molecular: 116.2 Beilstein Registry Number: 1731590 Número CE: 209-993-7

GRADE & PURITY ≥99%(GC)

Synonyms

2,4-dimethyl-pentan-3-ol | 2,4-Dimethylpentan-3-ol | 2,4-DIMETHYL-3-PENTANOL | SCHEMBL21031 | Q27284566 | DTXSID9022075 | DIISOPROPYLMETHYL ALCOHOL | 2,4-Dimethyl-3-pentanol, 99% | Diisopropylmethanol | MFCD00008921 | W-105283 | A832583 | AKOS009158651 |

Storage

Room temperature

Shipped In

Normal

Visão geral

2,4-dimethyl-3-pentanol as a proton source for enantioselective coupling with 2-substituted acrylate derivatives.

Specifications

Sinónimos

2,4-dimethyl-pentan-3-ol | 2,4-Dimethylpentan-3-ol | 2,4-DIMETHYL-3-PENTANOL | SCHEMBL21031 | Q27284566 | DTXSID9022075 | DIISOPROPYLMETHYL ALCOHOL | 2,4-Dimethyl-3-pentanol, 99% | Diisopropylmethanol | MFCD00008921 | W-105283 | A832583 | AKOS009158651 |

Especificações e pureza

≥99%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

488181421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181421

Sorrisos canónicos

CC(C)C(C(C)C)O

IUPAC Name

2,4-dimethylpentan-3-ol

InChIKey

BAYAKMPRFGNNFW-UHFFFAOYSA-N

INCHI

1S/C7H16O/c1-5(2)7(8)6(3)4/h5-8H,1-4H3

SMILES isoméricas

CC(C)C(C(C)C)O

WGK Alemanha

3

Número UN

1987

Grupo de embalagem

III

Peso molecular

116.2

Beilstein

1731590

Reaxy-Rn

1731593

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731593&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: 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: 1.425
• Ponto de inflamação (°F): 98.6 °F
• Ponto de inflamação (°C): 37°C(lit.)
• Ponto de ebulição (°C): 139-140 °C
• Peso molecular: 116.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.12 Da
• Monoisotopic Mass: 116.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 49.400
• 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