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Benzaldehyde,4-[(tetrahydro-2H-pyran-4-yl)oxy]-

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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 Molecular Structure of 215460-40-5 (4-(Tetrahydropyran-4-yloxy)benzaldehyde) Hazard Symbols Xi
Synonyms

4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde 97%;

 

Benzaldehyde,4-[(tetrahydro-2H-pyran-4-yl)oxy]- Specification

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

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