Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(Benzyloxy)-2-methyl-4H-pyran-4-one |
EINECS | N/A |
CAS No. | 61049-69-2 | Density | 1.18 g/cm3 |
PSA | 39.44000 | LogP | 2.52720 |
Solubility | N/A | Melting Point |
56-57 °C |
Formula | C13H12O3 | Boiling Point | 410.9 °C at 760 mmHg |
Molecular Weight | 216.236 | Flash Point | 194 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4H-pyran-4-one, 2-methyl-3-(phenylmethoxy)-; |
Article Data | 95 |
The 3-(Benzyloxy)-2-methyl-4H-pyran-4-one with the cas number 61049-69-2 is also called 4H-pyran-4-one, 2-methyl-3-(phenylmethoxy)-. Its molecular formula is C13H12O3. The product category of this chemical is Pyrans, Piperidines & Piperazines. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 23.94; (6)ACD/BCF (pH 7.4): 23.94; (7)ACD/KOC (pH 5.5): 337.92; (8)ACD/KOC (pH 7.4): 337.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 60.08 cm3; (15)Molar Volume: 182.2 cm3; (16)Polarizability: 23.81×10-24cm3; (17)Surface Tension: 43.5 dyne/cm; (18)Enthalpy of Vaporization: 66.33 kJ/mol; (19)Vapour Pressure: 5.82×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2C(/OCc1ccccc1)=C(\O/C=C/2)C
(2)InChI: InChI=1/C13H12O3/c1-10-13(12(14)7-8-15-10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
(3)InChIKey: LQDVCPYRCOKNMV-UHFFFAOYAC