2-Tridecanone (593-08-8)

The IUPAC name of 2-Tridecanone is tridecan-2-one. With the CAS registry number 593-08-8, it is also named as Methyl undecyl ketone. The product's categories are food additives, flavorant and artificial flavors and should be keep sealed. In addition, it is stable, combustible, incompatible with strong oxidizing agents. Its molecular formula is C₁₃H₂₆O and molecular weight is 198.35. Besides, the chemical is white to slightly yellow crystalline solid, which is insoluble in water.

The other characteristics of this product can be summarized as: (1)EINECS: 209-784-0; (2)FEMA: 3388; (3)ACD/LogP: 5.16; (4)# of Rule of 5 Violations: 1; (5)ACD/LogD (pH 5.5): 5.16; (6)ACD/LogD (pH 7.4): 5.16; (7)ACD/BCF (pH 5.5): 4883.16; (8)ACD/BCF (pH 7.4): 4883.16; (9)ACD/KOC (pH 5.5): 15204.25; (10)ACD/KOC (pH 7.4): 15204.25; (11)H bond acceptors: 1; (12)H bond donors: 0; (13)Freely Rotating Bonds: 10; (14)Polar Surface Area: 17.07 Å²; (15)Index of Refraction: 1.431; (16)Molar Refractivity: 62.3 cm³; (17)Molar Volume: 240.2 cm³; (18)Polarizability: 24.69×10^-24cm³; (19)Surface Tension: 28.3 dyne/cm; (20)Density: 0.825 g/cm³; (21)Flash Point: 83.3 °C; (22)Melting point: 24-27 °C; (23)Enthalpy of Vaporization: 48.15 kJ/mol; (24)Boiling Point: 263.8 °C at 760 mmHg; (25)Vapour Pressure: 0.0164 mmHg at 25 °C.

Preparation of 2-Tridecanone: this chemical can be prepared by Methyllithium and Dodecanoic acid.



This reaction needs reagent Ethyl acetate to heating. The reaction time is 5 hours. The yield is 83 %.

Uses of 2-Tridecanone: it can reacts with Benzene-1,2-diol to get 2-Methyl-2-undecyl-1,3-benzodioxole.



This reaction needs reagent p-Toluenesulfonic acid and Toluene to heating. The reaction time is 48 hours. The yield is 80 %.

When you are using this chemical, please be cautious about it as the following: it is very toxic to aquatic organisms. When use it, please do not breathe vapour. Furthermore, please avoid contact with skin and eyes and release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
SMILES:O=C(CCCCCCCCCCC)C
InChI:InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey:CYIFVRUOHKNECG-UHFFFAOYAU
Std. InChI:InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
Std. InChIKey:CYIFVRUOHKNECG-UHFFFAOYSA-N