Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Heptadecanone |
EINECS | N/A |
CAS No. | 2922-51-2 | Density | 0.83g/cm3 |
PSA | 17.07000 | LogP | 6.05670 |
Solubility | N/A | Melting Point |
47-50 ºC |
Formula | C17H34O | Boiling Point | 319.9°C at 760mmHg |
Molecular Weight | 254.456 | Flash Point | 80.6°C |
Transport Information | N/A | Appearance | Fine white plates. |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methylpentadecyl ketone;Pentadecyl methyl ketone; |
Article Data | 5 |
The cas register number of 2-Heptadecanone is 2922-51-2. It also can be called as ketone, methyl pentadecanyl and the Systematic name about this chemical is heptadecan-2-one.
Physical properties about 2-Heptadecanone are: (1)ACD/LogP: 7.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.28; (4)ACD/LogD (pH 7.4): 7.28; (5)ACD/BCF (pH 5.5): 201374.59; (6)ACD/BCF (pH 7.4): 201374.59; (7)ACD/KOC (pH 5.5): 217862.48; (8)ACD/KOC (pH 7.4): 217862.48; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 17.07Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 80.83 cm3; (15)Molar Volume: 306.2 cm3; (16)Surface Tension: 29.4 dyne/cm; (17)Density: 0.83 g/cm3; (18)Flash Point: 80.6 °C; (19)Enthalpy of Vaporization: 53.91 kJ/mol; (20)Boiling Point: 319.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000617 mmHg at 25°C.
Uses of 2-Heptadecanone: It reacts with (4,5-dimethyl-[1,3]dithiol-2-yl)-phosphonic acid diethyl ester to get 4,5-dimethyl-2-(1-methyl-hexadecylidene)-[1,3]dithiole. This reaction needs solvent toluene. The reaction time is 0.5 hour. The yield is 77.5 %.
People can use the following data to convert to the molecule structure.
1.SMILES: CC(=O)CCCCCCCCCCCCCCC
2.InChI: InChI=1/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3
3.InChIKey: TVTCXPXLRKTHAU-UHFFFAOYAB
4.Std. InChI: InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3-16H2,1-2H3