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Name |
Ethanone,1-cyclododecyl- |
EINECS | 249-316-2 |
CAS No. | 28925-00-0 | Density | 0.861 g/cm3 |
PSA | 17.07000 | LogP | 4.49630 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H26O | Boiling Point | 294.4 °C at 760 mmHg |
Molecular Weight | 210.36 | Flash Point | 141.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ketone,cyclododecyl methyl (8CI);Acetylcyclododecane;Cyclododecyl methyl ketone;1-cyclododecylethanone;Ethanone, 1-cyclododecyl-; |
Article Data | 6 |
The Ethanone,1-cyclododecyl-, with the CAS registry number 28925-00-0 and EINECS registry number 249-316-2, has the systematic name of 1-cyclododecylethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H26O.
The characteristics of Ethanone,1-cyclododecyl- are as followings: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)ACD/BCF (pH 5.5): 6149.61; (6)ACD/BCF (pH 7.4): 6149.61; (7)ACD/KOC (pH 5.5): 17932.83; (8)ACD/KOC (pH 7.4): 17932.83; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 64.54 cm3; (15)Molar Volume: 244.1 cm3; (16)Polarizability: 25.58×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.861 g/cm3; (19)Flash Point: 141.7 °C; (20)Enthalpy of Vaporization: 53.41 kJ/mol; (21)Boiling Point: 294.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00162 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)C1CCCCCCCCCCC1
(2)InChI: InChI=1/C14H26O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-12H2,1H3
(3)InChIKey: FTPUBZGARRXJIM-UHFFFAOYAM