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

CAS: 107-41-5 Cat. No.: GMP1526863 Formule: C₆H₁₄O₂ Poids moléculaire: 118.17 Beilstein Registry Number: 1098298 Numéro CE: 203-489-0

GRADE & PURITY PharmPure™, NF, ≥99%

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Vue d’ensemble

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

Specifications

Spécifications et pureté

PharmPure™, NF, ≥99%

Conditions de stockage de stockage

Room temperature,Argon charged,Desiccated

Expédié en

Normal

Grade

NF, PharmPure™

Pureté

≥99%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

RTECS

SA0810000

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Miscible with water, alcohol, ether, fatty acids and lower aliphatic hydrocarbons. Slightly miscible with carbon tetrachloride.
• Sensibilité: Air & Moisture Sensitive
• Indice de réfraction: 1.4276
• Point d'éclair (°F): 201.2 °F
• Point d'éclair (°C): 93℃
• Point d'ébullition (°C): 198°C
• Point de fusion (°C): -40°C
• Poids moléculaire: 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