4-N-OCTYLOXYBENZALDEHYDE

The Benzaldehyde,4-(octyloxy)-, with the CAS registry number 24083-13-4, is also known as p-Octyloxybenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Benzaldehyde (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. Its EINECS registry number is 246-012-1. This chemical's molecular formula is C₁₅H₂₂O₂ and molecular weight is 234.33. Its IUPAC name is called 4-octoxybenzaldehyde. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of Benzaldehyde,4-(octyloxy)-: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.42; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 7741.87; (6)ACD/BCF (pH 7.4): 7741.87; (7)ACD/KOC (pH 5.5): 21145.91; (8)ACD/KOC (pH 7.4): 21145.91; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 72.11 cm³; (13)Molar Volume: 240.6 cm³; (14)Surface Tension: 35.5 dyne/cm; (15)Density: 0.973 g/cm³; (16)Flash Point: 142.9 °C; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Boiling Point: 349.9 °C at 760 mmHg; (19)Vapour Pressure: 4.55E-05 mmHg at 25°C.

Preparation of Benzaldehyde,4-(octyloxy)-: this chemical can be prepared by 1-bromo-octane and 4-hydroxy-benzaldehyde. This reaction will need reagent K₂CO₃ and solvent acetone.

Uses of Benzaldehyde,4-(octyloxy)-: it can be used to produce (2-methyl-pyrimidin-5-yl)-(4-octyloxy-benzylidene)-amine by heating. This reaction will need solvent ethanol with reaction time of 4 hours. The yield is about 81%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)C=O
(2)InChI: InChI=1S/C15H22O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,13H,2-7,12H2,1H3
(3)InChIKey: KVOWZHASDIKNFK-UHFFFAOYSA-N