75245-21-5

Basic information

• Product Name: (3E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
• Synonyms: (E)-3,4-Di-tert-butyl-3-hexene
• CAS NO: 75245-21-5
• Molecular Formula: C₁₄H₂₈
• Molecular Weight: 196.3721
• Mol File: 75245-21-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 234.9°C at 760 mmHg
• Flash Point: 91°C
• Density: 0.776g/cm³
• Vapor Pressure: 0.0788mmHg at 25°C
• Refractive Index: 1.439
• CAS DataBase Reference: (3E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene(CAS DataBase Reference)
• NIST Chemistry Reference: (3E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene(75245-21-5)
• EPA Substance Registry System: (3E)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene(75245-21-5)

Safety Data

• Hazardous Substances Data: 75245-21-5(Hazardous Substances Data)

Upstream product

• 564-04-5 2,2-dimethyl-3-pentanone 
• 630-19-3 pivalaldehyde 
• 75245-22-6 (Z)-3,4-Diethyl-2,2,5,5-tetramethyl-3-hexen 

Downstream Products

• 75245-22-6 (Z)-3,4-Diethyl-2,2,5,5-tetramethyl-3-hexen 

Relevant articles and documents

SYNTHESIS AND CONFORMATIONAL BEHAVIOR OF E-3,4-DIETHYL-2,2,5,5-TETRAMETHYLHEXENE-3

Synthesis of 2 is described by reductive coupling of 1; the temperature dependent 1H-NMR-spectrum can be described by the interconversion of the two preferred conformations 2a and 2b (ΔG300=18.3 kcal/mole), which is qualitatively described by force-field calculations.