51301-87-2

Basic information

• Product Name: 4-BUTOXY-3-METHOXY-BENZALDEHYDE
• Synonyms: OTAVA-BB BB7119845870;4-BUTOXY-3-METHOXY-BENZALDEHYDE;AKOS B000258
• CAS NO: 51301-87-2
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.25
• Mol File: 51301-87-2.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 319.9 °C at 760 mmHg
• Flash Point: 138.3 °C
• Appearance: /
• Density: 1.048 g/cm³
• Vapor Pressure: 0.00033mmHg at 25°C
• Refractive Index: 1.518
• CAS DataBase Reference: 4-BUTOXY-3-METHOXY-BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BUTOXY-3-METHOXY-BENZALDEHYDE(51301-87-2)
• EPA Substance Registry System: 4-BUTOXY-3-METHOXY-BENZALDEHYDE(51301-87-2)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 51301-87-2(Hazardous Substances Data)

Usage

General Description

4-Butoxy-3-Methoxy-Benzaldehyde is a chemical compound with the molecular formula C11H14O3. It is commonly used as a flavoring agent in the food industry due to its sweet and floral aroma. As an organic compound, it is also used in the synthesis of pharmaceuticals and fragrance products. This chemical is a clear, colorless to pale yellow liquid with a slightly sweet, warm, and floral odor. It is an aldehyde, which means it contains a carbonyl group consisting of a carbon atom bonded to a hydrogen atom and double-bonded to an oxygen atom. 4-BUTOXY-3-METHOXY-BENZALDEHYDE is commonly found in essential oils and is used in perfumes, soaps, and cosmetics. 4-Butoxy-3-Methoxy-Benzaldehyde is also known to be toxic if inhaled or ingested and should be handled and used with precaution.

InChI:InChI=1/C12H16O3/c1-3-4-7-15-11-6-5-10(9-13)8-12(11)14-2/h5-6,8-9H,3-4,7H2,1-2H3

Upstream product

• 542-69-8 1-iodo-butane 
• 121-33-5 vanillin 
• 51241-33-9 1-n-butoxy-2-methoxybenzene 
• 93-61-8 N-methyl-N-phenylformamide 
• 90-05-1 2-methoxy-phenol 
• 109-65-9 1-bromo-butane 
• 148433-15-2 4-<(4-iodobutyl)oxy>-3-methoxybenzaldehyde 

Downstream Products

• 126278-71-5 (4-butoxy-3-methoxy-phenyl)-acetone 
• 121-33-5 vanillin 
• 1369421-33-9 1-butoxy-2-methoxy-4-(2-methylprop-1-enyl)benzene 
• 462626-00-2 C₁₅H₁₈N₂O₄ 
• 2411-34-9 C₁₂H₁₇NO₃ 
• 1123756-61-5 (E,Z)-3-(4-butoxy-3-methoxybenzylidene)tetrahydrofuran-2,4-dione 
• 92682-22-9 4'-butoxy-3'-methoxy-3-benzylidene-2-oxobornane 
• 79712-20-2 5-(4-Butoxy-3-methoxy-phenyl)-thiazolidine-2,4-dione 

Relevant articles and documents

Potent human dihydroorotate dehydrogenase inhibitory activity of new quinoline-4-carboxylic acids derived from phenolic aldehydes: Synthesis, cytotoxicity, lipophilicity and molecular docking studies

A series of novel 2-substituted quinoline-4-carboxylic acids was synthesized by Doebner reaction starting from freely available protocatechuic aldehyde and vanillin precursors. Human dihydroorotate dehydrogenase (hDHODH) was recognised as a clear molecular target for these heterocycles. All compounds were also tested for their antiproliferative potential against three cancer cells (MCF-7, A549, A375) and one normal cell line (HaCaT) to evaluate the selective cytotoxicity. Quinoline derivatives 3f and 3g were identified as potent hDHODH inhibitors while 3k and 3l demonstrated high cytotoxic activity against MCF-7 and A375 cells and good selectivity. In addition, the logD7.4 values obtained by the experimental method were found to be in the range from ?1.15 to 1.69. The chemical structures of all compounds were confirmed by IR, NMR and elemental analysis. The compounds pharmacology on the molecular level was revealed by means of molecular docking, highlighting the structural differences that distinguish highly active from medium and low active hDHODH inhibitors.

Alkyl chain-dependent cyano-stilbene derivative's molecular stacking, emission enhancement and fluorescent response to the mechanical force and thermal stimulus

Two cyano-stilbene derivatives with butyl (C4MPA) and octyl groups (C8MPA) were synthesized to investigate the effects of alkyl chains on molecular stacking, emission enhancement, and mechanofluorochromism. The two compounds displayed weak emissions in mo

Synthesis and characterization of new homologous series of unsymmetrical liquid crystalline compounds based on chalcones and 3, 5-disubstituted isoxazoles

Two homologous series of unsymmetrical alkylated chalcones and 3,5-diaryl isoxazoles, consisting of 20 members, with various n-alkyl bromides (n=2?7, 10, 12, 14, 16) have been synthesized and studied for their liquid crystalline property. Simple strategy was employed to achieve the target materials. Flexibility in the synthesized molecules is provided by attaching straight alkoxy chains, where one terminal group is fixed and other terminal group is varied. The synthesized compounds were characterized on the basis of Mass, IR and NMR spectroscopy. The stability and the range of the mesophases increased with the length of the chain on the isoxazoles. The melting point, transition temperatures and enantiotropic liquid crystal morphologies were determined by polarizing optical microscopy (POM) in conjunction with a hot stage and by differential scanning calorimetry (DSC). [Figure not available: see fulltext.]