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2774-84-7

Basic Information
CAS No.: 2774-84-7
Name: 10-Undecyn-1-ol
Article Data: 46
Molecular Structure:
Molecular Structure of 2774-84-7 (10-Undecyn-1-ol)
Formula: C11H20O
Molecular Weight: 168.279
Synonyms: 1-Undecyn-11-ol;11-Hydroxy-1-undecyne;undec-10-yn-1-ol;
Density: 0.879 g/cm3
Melting Point: 10.3°C (estimate)
Boiling Point: 243.8 °C at 760 mmHg
Flash Point: 187.8 °C
Solubility: Immiscible with water.
Safety: 23-24/25
PSA: 20.23000
LogP: 2.73270
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Specification

This chemical is called 10-Undecyn-1-ol, and its systematic name is undec-10-yn-1-ol. With the CAS registry number of 2774-84-7, and its product categories are Acetylenes; Acetylenic Alcohols & Their Derivatives; Diyne Compounds (LB Films); Functional Materials; LB Films. Additionally, this chemical should be sealed in the cool and dry plcace.

Other characteristics of the 10-Undecyn-1-ol can be summarised as followings: 1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 171.63; (6)ACD/BCF (pH 7.4): 171.63; (7)ACD/KOC (pH 5.5): 1383.98; (8)ACD/KOC (pH 7.4): 1383.98; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 52.37 cm3; (15)Molar Volume: 191.3 cm3; (16)Polarizability: 20.76×10-24cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.879 g/cm3; (19)Flash Point: 187.8 °C; (20)Enthalpy of Vaporization: 55.88 kJ/mol; (21)Boiling Point: 243.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0053 mmHg at 25°C.

Production method of this chemical: The 10-Undecyn-1-ol could be obtained by the reactant of undec-10-ynoic acid. This reaction needs the reagent of LiAlH4, and the solvent of diethyl ether. The yield is 85 %. In addition, this reaction should be taken for 3 hours at the temperature of 40 °C.

Uses of this chemical: The 11-bromo-undec-1-yne could be obtained by the reactant of 10-Undecyn-1-ol. This reaction needs the reagents of CBr4, PPh3, and the solvent of diethyl ether. The yield is 100 %. This reaction should be taken for 2 hours at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: C#CCCCCCCCCCO
2.InChI: InChI=1/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h1,12H,3-11H2
3.InChIKey: YUQZOUNRPZBQJK-UHFFFAOYAM