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174064-00-7

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Basic Information
CAS No.: 174064-00-7
Name: 7-TETRADECYN-6,9-DIOL
Article Data: 3
Molecular Structure:
Molecular Structure of 174064-00-7 (7-TETRADECYN-6,9-DIOL)
Formula: C14H26O2
Molecular Weight: 226.359
Synonyms: 7-TETRADECYN-6,9-DIOL;7-TETRADECYNE-6,9-DIOL;TIMTEC-BB SBB008953
Density: 0.948 g/cm3
Boiling Point: 251.9 °C at 760 mmHg
Flash Point: 96.8 °C
Hazard Symbols: R36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 40.46000
LogP: 2.87220
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Specification

This chemical is called 7-Tetradecyne-6,9-diol, and its systematic name is tetradec-7-yne-6,9-diol. With the molecular formula of C14H26O2, its molecular weight is 226.36. The CAS registry number of this chemical is 174064-00-7.

Other characteristics of the 7-Tetradecyne-6,9-diol can be summarised as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 490.94; (6)ACD/BCF (pH 7.4): 490.94; (7)ACD/KOC (pH 5.5): 2936.56; (8)ACD/KOC (pH 7.4): 2936.55; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 67.9 cm3; (15)Molar Volume: 238.7 cm3; (16)Polarizability: 26.91×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 0.948 g/cm3; (19)Flash Point: 96.8 °C; (20)Enthalpy of Vaporization: 56.84 kJ/mol; (21)Boiling Point: 251.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00312 mmHg at 25°C.

Production method of this chemical: The 7-Tetradecyne-6,9-diol could be obtained by the reactant of tetradec-7-yn-6-ol. This reaction needs the reagents of t-BuOOH, SeO2, NaBH4, and the solvent of methanol. The yield is 55 %. In addition, this reaction should be taken for 24 hours.

Uses of this chemical: The tetradec-7-yne-6,9-dione could be obtained by the reactant of 7-Tetradecyne-6,9-diol. This reaction needs the reagent of CrO3, aq. H2SO4. The yield is 75 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: C(#CC(O)CCCCC)C(O)CCCCC
2.InChI: InChI=1/C14H26O2/c1-3-5-7-9-13(15)11-12-14(16)10-8-6-4-2/h13-16H,3-10H2,1-2H3
3.InChIKey: GQHFRBUSENSDPM-UHFFFAOYAE