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Name |
2-Tetradecanone |
EINECS | 219-063-2 |
CAS No. | 2345-27-9 | Density | 0.827 g/cm3 |
PSA | 17.07000 | LogP | 4.88640 |
Solubility | N/A | Melting Point |
33.0 to 37.0 °C |
Formula | C14H28O | Boiling Point | 279 °C at 760 mmHg |
Molecular Weight | 212.376 | Flash Point | 84.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Dodecylmethyl ketone;Lauryl methyl ketone;Methyl dodecyl ketone; |
Article Data | 58 |
The CAS register number of 2-Tetradecanone is 2345-27-9. It also can be called as Dodecylmethyl ketone and the systematic name about this chemical is tetradecan-2-one. The molecular formula about this chemical is C14H28O and the molecular weight is 212.37. This chemical is a synthetic perfumes and it can be used in deploy flavor.
Physical properties about 2-Tetradecanone are: (1)ACD/LogP: 5.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.69; (4)ACD/LogD (pH 7.4): 5.69; (5)ACD/BCF (pH 5.5): 12374.46; (6)ACD/BCF (pH 7.4): 12374.46; (7)ACD/KOC (pH 5.5): 29581.4; (8)ACD/KOC (pH 7.4): 29581.4; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 17.07Å2; (12)Index of Refraction: 1.434; (13)Molar Refractivity: 66.93 cm3; (14)Molar Volume: 256.7 cm3; (15)Polarizability: 26.53x10-24cm3; (16)Surface Tension: 28.6 dyne/cm; (17)Flash Point: 84.2 °C; (18)Enthalpy of Vaporization: 49.68 kJ/mol; (19)Boiling Point: 279 °C at 760 mmHg; (20)Vapour Pressure: 0.00698 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-(4-chloro-phenyl)-2-nitro-propan-1-one at heating. This reaction will need reagent conc. hydrochloric acid and solvent methanol. The reaction time is 2 hour(s). The yield is about 95%.
Uses of p-Chloropropiophenone: it can be used to produce 2,4-dioxohexadecanoic acid, ethyl ester with oxalic acid diethyl ester at temperature of 60 ℃. This reaction will need reagent metallic sodium and solvent ethanol with reaction time of 5 hours.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCCCCCCCCC)C
(2)InChI: InChI=1/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
(3)InChIKey: POQLVOYRGNFGRM-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
(5)Std. InChIKey: POQLVOYRGNFGRM-UHFFFAOYSA-N