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Name |
Benzaldehyde,4-[(tetrahydro-2H-pyran-4-yl)oxy]- |
EINECS | N/A |
CAS No. | 215460-40-5 | Density | 1.154 g/cm3 |
PSA | 35.53000 | LogP | 2.05690 |
Solubility | N/A | Melting Point |
95 °C |
Formula | C12H14O3 | Boiling Point | 356.198 °C at 760 mmHg |
Molecular Weight | 206.241 | Flash Point | 160.506 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde 97%; |
The Benzaldehyde,4-[(tetrahydro-2H-pyran-4-yl)oxy]-, with the CAS registry number of 215460-40-5, is also known as 4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde 97%. This chemical's molecular formula is C12H14O3 and molecular weight is 206.23776. What's more, its systematic name is 4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde.
Physical properties about the Benzaldehyde,4-[(tetrahydro-2H-pyran-4-yl)oxy]- are: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 187; (8)ACD/KOC (pH 7.4): 187; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 57.713 cm3; (15)Molar Volume: 178.65 cm3; (16)Surface Tension: 44.351 dyne/cm; (17)Density: 1.154 g/cm3; (18)Flash Point: 160.506 °C; (19)Enthalpy of Vaporization: 60.143 kJ/mol; (20)Boiling Point: 356.198 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccc(cc1)OC2CCOCC2
(2) InChI: InChI=1/C12H14O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,9,12H,5-8H2
(3) InChIKey: SIHCMIVOQNBOFV-UHFFFAOYAB