2-Methyl-2,4-pentanediol - PharmPure™, NF, ≥99% , CAS No.107-41-5

CAS: 107-41-5 Cat. No.: GMP1526863 Fórmula: C₆H₁₄O₂ Peso molecular: 118.17 Beilstein Registry Number: 1098298 Número CE: 203-489-0

GRADE & PURITY PharmPure™, NF, ≥99%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Visão geral

Hexylene glycol helps in isolating chromosomes from the human cell line BALL-1.

Specifications

Especificações e pureza

PharmPure™, NF, ≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Grau

NF, PharmPure™

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

2-methylpentane-2,4-diol

InChIKey

SVTBMSDMJJWYQN-UHFFFAOYSA-N

INCHI

1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3

SMILES isoméricas

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

WGK Alemanha

1

RTECS

SA0810000

Peso molecular

118.17

Beilstein

1098298

Reaxy-Rn

1098298

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098298&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: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Secondary 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: glycol

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

Propriedades químicas e físicas

• Solubilidade: Miscible with water, alcohol, ether, fatty acids and lower aliphatic hydrocarbons. Slightly miscible with carbon tetrachloride.
• Sensibilidade: Air & Moisture Sensitive
• Índice de refração: 1.4276
• Ponto de inflamação (°F): 201.2 °F
• Ponto de inflamação (°C): 93℃
• Ponto de ebulição (°C): 198°C
• Ponto de fusão (°C): -40°C
• Peso molecular: 118.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.099 Da
• Monoisotopic Mass: 118.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.900
• 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