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7-Tetradecyne-6,9-diol

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Name

7-Tetradecyne-6,9-diol

EINECS N/A
CAS No. 174064-00-7 Density 0.948 g/cm3
PSA 40.46000 LogP 2.87220
Solubility N/A Melting Point N/A
Formula C14H26O2 Boiling Point 251.9 °C at 760 mmHg
Molecular Weight 226.359 Flash Point 96.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 174064-00-7 (7-TETRADECYN-6,9-DIOL) Hazard Symbols R36/37/38:;
Synonyms

7-TETRADECYN-6,9-DIOL;7-TETRADECYNE-6,9-DIOL;TIMTEC-BB SBB008953

Article Data 3

7-Tetradecyne-6,9-diol 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

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