Basic Information | Post buying leads | Suppliers |
Name |
Oxacyclohexadecane-2,13-dione |
EINECS | 405-830-0 |
CAS No. | 38223-29-9 | Density | 0.949 g/cm3 |
PSA | 43.37000 | LogP | 3.79350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H26O3 | Boiling Point | 426.9 °C at 760 mmHg |
Molecular Weight | 254.37 | Flash Point | 188.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Oxocyclohexadecan-2,-dion |
The CAS registry number of 12-Ketopentadecanolide is 38223-29-9. The IUPAC name is oxacyclohexadecane-2,13-dione. In addition, the molecular formula is C15H26O3 and the molecular weight is 254.37. It should be stored in a cool and dry place.
Physical properties about 12-Ketopentadecanolide are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.8; (6)ACD/BCF (pH 7.4): 137.8; (7)ACD/KOC (pH 5.5): 1182.71; (8)ACD/KOC (pH 7.4): 1182.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 71.04 cm3; (15)Molar Volume: 267.8 cm3; (16)Polarizability: 28.16×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 188.7 °C; (20)Enthalpy of Vaporization: 68.18 kJ/mol; (21)Boiling Point: 426.9 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCC(=O)CCCCCCCCCC1
(2)InChI: InChI=1/C15H26O3/c16-14-10-7-5-3-1-2-4-6-8-12-15(17)18-13-9-11-14/h1-13H2
(3)InChIKey: QFRZEGADDLNLLM-UHFFFAOYAQ