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125379-19-3

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Basic Information
CAS No.: 125379-19-3
Name: 3,4-diethyl-3,4-dimethoxyhexane
Article Data: 2
Molecular Structure:
Molecular Structure of 125379-19-3 (3,4-diethyl-3,4-dimethoxyhexane)
Formula: C12H26O2
Molecular Weight: 202.337
Synonyms: 3,4-Diethyl-3,4-dimethoxyhexane
Density: 0.845 g/cm3
Boiling Point: 190.6 °C at 760 mmHg
Flash Point: 33.6 °C
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Specification

The CAS registry number of Hexane,3,4-diethyl-3,4-dimethoxy- is 125379-19-3. This chemical's molecular formula is C12H26O2 and molecular weight is 202.3336. What's more, both its IUPAC name and systematic name are the same which is called 3,4-Diethyl-3,4-dimethoxyhexane.

Physical properties about Hexane,3,4-diethyl-3,4-dimethoxy- are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 128.97; (6)ACD/BCF (pH 7.4): 128.97; (7)ACD/KOC (pH 5.5): 1127.99; (8)ACD/KOC (pH 7.4): 1127.99; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 61.06 cm3; (15)Molar Volume: 239.4 cm3; (16)Polarizability: 24.2×10-24 cm3; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 0.845 g/cm3; (19)Flash Point: 33.6 °C; (20)Enthalpy of Vaporization: 40.94 kJ/mol; (21)Boiling Point: 190.6 °C at 760 mmHg; (22)Vapour Pressure: 0.744 mmHg at 25 °C.

Preparation of Hexane,3,4-diethyl-3,4-dimethoxy-: this chemical can be prepared by Iodomethane and 3,4-Diethyl-hexane-3,4-diol. This reaction needs reagent NaH and solvent Tetrahydrofuran at temperature of 50 °C. The reaction time is 14 hours. The yield is 62 %.

Hexane,3,4-diethyl-3,4-dimethoxy- can be prepared by Iodomethane and 3,4-Diethyl-hexane-3,4-diol

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(C(OC)(CC)CC)(CC)CC
(2)InChI: InChI=1/C12H26O2/c1-7-11(8-2,13-5)12(9-3,10-4)14-6/h7-10H2,1-6H3
(3)InChIKey: KGFJBMIBGUJGSB-UHFFFAOYAV