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| CAS No.: | 5470-84-8 |
|---|---|
| Name: | Butanal, 4-(phenylmethoxy)- |
| Article Data: | 130 |
| Molecular Structure: | |
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| Formula: | C11H14 O2 |
| Molecular Weight: | 178.231 |
| Synonyms: | 4-(benzyloxy)butanal |
| Density: | 1.015g/cm3 |
| Boiling Point: | 275.8°C at 760 mmHg |
| Flash Point: | 115.3°C |
| PSA: | 26.30000 |
| LogP: | 2.18230 |
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Specification
The 4-(Benzyloxy)butanal,with the CAS registry number 5470-84-8,is also known as Butanal,4-(phenylmethoxy)-.It belongs to the product categories of Pharmaceutical Intermediates.This chemical's molecular formula is C11H14O2 and molecular weight is 178.22.
Physical properties about 4-(Benzyloxy)butyraldehyde are:(1)ACD/LogP: 1.796; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.80; (4)ACD/LogD (pH 7.4): 1.80; (5)ACD/BCF (pH 5.5): 13.64; (6)ACD/BCF (pH 7.4): 13.64; (7)ACD/KOC (pH 5.5): 225.95; (8)ACD/KOC (pH 7.4): 225.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 51.633 cm3; (14)Molar Volume: 175.452 cm3; (15)Polarizability: 20.469×10-24 cm3; (16)Surface Tension: 36.6759986877441 dyne/cm; (17)Density: 1.016 g/cm3; (18)Flash Point: 115.268 °C; (19)Enthalpy of Vaporization: 51.424 kJ/mol; (20)Boiling Point: 275.768 °C at 760 mmHg; (21)Vapour Pressure: 0.00499999988824129 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O=CCCCOCc1ccccc1;
(2)Std. InChI:InChI=1S/C11H14O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2Std.;
(3)InChIKey:QTISZPXYPZNBQB-UHFFFAOYSA-N;