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70709-97-6

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Basic Information
CAS No.: 70709-97-6
Name: 2-[(4-propylheptan-4-yl)oxy]ethanol
Molecular Structure:
Molecular Structure of 70709-97-6 (2-[(4-propylheptan-4-yl)oxy]ethanol)
Formula: C12H26O2
Molecular Weight: 202.33
Synonyms: Ethyleneglycol mono(1,1-dipropylbutyl) ether;2-[(4-Propylheptan-4-yl)oxy]ethanol;
Density: 0.877 g/cm3
Boiling Point: 231.1 °C at 760 mmHg
Flash Point: 65.2 °C
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Specification

The CAS registry number of Ethanol,2-(1,1-dipropylbutoxy)- is 70709-97-6. Its systematic name is 2-[(4-propylheptan-4-yl)oxy]ethanol. In addition, the molecular formula is C12H26O2 and the molecular weight is 202.33. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Ethanol,2-(1,1-dipropylbutoxy)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 331.45; (6)ACD/BCF (pH 7.4): 331.45; (7)ACD/KOC (pH 5.5): 2216.79; (8)ACD/KOC (pH 7.4): 2216.79; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 60.88 cm3; (15)Molar Volume: 230.5 cm3; (16)Polarizability: 24.13 ×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.877 g/cm3; (19)Flash Point: 65.2 °C; (20)Enthalpy of Vaporization: 54.37 kJ/mol; (21)Boiling Point: 231.1 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCOC(CCC)(CCC)CCC
(2)Std. InChI: InChI=1S/C12H26O2/c1-4-7-12(8-5-2,9-6-3)14-11-10-13/h13H,4-11H2,1-3H3
(3)Std. InChIKey: AOXKGDOQEXIVGF-UHFFFAOYSA-N