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66719-33-3

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Basic Information
CAS No.: 66719-33-3
Name: 4,6-dimethyloctan-1-ol
Molecular Structure:
Molecular Structure of 66719-33-3 (4,6-dimethyloctan-1-ol)
Formula: C10H22O
Molecular Weight: 158.284
Synonyms: 4,6-dimethyloctan-1-ol
EINECS: 266-460-1
Density: 0.824 g/cm3
Melting Point: -1.53°C (estimate)
Boiling Point: 206.4 °C at 760 mmHg
Flash Point: 87.9 °C
PSA: 20.23000
LogP: 2.83120
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    1-Octanol, 4,6-dimethyl-

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  • 4,6-DIMETHYLOCTAN-1-OL

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    4,6-DIMETHYLOCTAN-1-OL

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    4,6-DIMETHYLOCTAN-1-OLAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

This chemical is called 1-Octanol, 4,6-dimethyl-, and its systematic name is 4,6-dimethyloctan-1-ol. With the molecular formula of C10H22O, its molecular weight is 158.28. The CAS registry number of this chemical is 66719-33-3.

Other characteristics of the 1-Octanol, 4,6-dimethyl- can be summarised as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 378.88; (6)ACD/BCF (pH 7.4): 378.88; (7)ACD/KOC (pH 5.5): 2439.47; (8)ACD/KOC (pH 7.4): 2439.47; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 49.82 cm3; (15)Molar Volume: 191.8 cm3; (16)Polarizability: 19.75×10-24cm3; (17)Surface Tension: 28 dyne/cm; (18)Density: 0.824 g/cm3; (19)Flash Point: 87.9 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 206.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0561 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCCCC(CC(CC)C)C
2.InChI: InChI=1/C10H22O/c1-4-9(2)8-10(3)6-5-7-11/h9-11H,4-8H2,1-3H3
3.InChIKey: JOWDWXPTKVUHBV-UHFFFAOYAE