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7-Tetradecanol

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Name

7-Tetradecanol

EINECS N/A
CAS No. 3981-79-1 Density 0.832 g/cm3
PSA 20.23000 LogP 4.67820
Solubility N/A Melting Point 42 °C
Formula C14H30O Boiling Point 275.7 °C at 760 mmHg
Molecular Weight 214.392 Flash Point 109.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3981-79-1 (7-Tetradecanol) Hazard Symbols N/A
Synonyms

7-TETRADECANOL;7-Tetradecanol,99%;7-TETRADECANOL 99%;1-Hexyl-1-octanol

Article Data 1

7-Tetradecanol Specification

The 7-Tetradecanol, with the CAS registry number of 3981-79-1, is also known as 1-Hexyl-1-octanol. This chemical's molecular formula is C14H30O and molecular weight is 214.39. What's more, its systematic name is Tetradecan-7-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the 7-Tetradecanol are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21558.2; (6)ACD/BCF (pH 7.4): 21558.2; (7)ACD/KOC (pH 5.5): 44013.48; (8)ACD/KOC (pH 7.4): 44013.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 68.4 cm3; (15)Molar Volume: 257.5 cm3; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 0.832 g/cm3; (18)Flash Point: 109.9 °C; (19)Enthalpy of Vaporization: 59.69 kJ/mol; (20)Boiling Point: 275.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000628 mmHg at 25 °C.

Preparation: this chemical is prepared by Tetradec-7-ene. The reaction needs reagents Methyltricaprylammonium chloride, 1-Bromobutane, NaOH. The reaction time is 16 h with reaction temperature of 40 °C. The yield is about 88 %.

The 7-Tetradecanol can be obtained by Tetradec-7-ene

Uses: it is used to produce other chemicals. For example, it is used to produce 8-Amino-octanoic acid 1-hexyl-octyl ester. This reaction needs reagent SOCl2. Meanwhile, it needs solvent CHCl3. The reaction time is 0.5 h with reaction temperature of 30 - 35 °C. The yield is about 62 %.

The 7-Tetradecanol can react with 8-Amino-octanoic acid to get 8-Amino-octanoic acid 1-hexyl-octyl ester

You can still convert the following datas into molecular structure:
(1) SMILES: OC(CCCCCCC)CCCCCC
(2) InChI: InChI=1/C14H30O/c1-3-5-7-9-11-13-14(15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
(3) InChIKey: FFAQYGTZIMVBFJ-UHFFFAOYAD

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