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Benzaldehyde,4-(octyloxy)-

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Name

Benzaldehyde,4-(octyloxy)-

EINECS 246-012-1
CAS No. 24083-13-4 Density 0.973 g/cm3
PSA 26.30000 LogP 4.23840
Solubility N/A Melting Point N/A
Formula C15H22O2 Boiling Point 349.9 °C at 760 mmHg
Molecular Weight 234.338 Flash Point 142.9 °C
Transport Information N/A Appearance clear colouless to yellowish liquid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 24083-13-4 (4-N-OCTYLOXYBENZALDEHYDE) Hazard Symbols IrritantXi
Synonyms

p-(Octyloxy)benzaldehyde;Benzaldehyde,p-(octyloxy)- (7CI,8CI);4-(Octyloxy)benzaldehyde;4-(n-Octyloxy)benzaldehyde;

Article Data 151

Benzaldehyde,4-(octyloxy)- Specification

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.

Benzaldehyde,4-(octyloxy)- can be prepared by 1-bromo-octane and 4-hydroxy-benzaldehyde

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%.

Benzaldehyde,4-(octyloxy)- can be used to produce (2-methyl-pyrimidin-5-yl)-(4-octyloxy-benzylidene)-amine

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

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