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4-Butoxy-3-Methoxy-Benzaldehyde is a chemical compound with the molecular formula C11H14O3. It is an aldehyde characterized by a carbonyl group consisting of a carbon atom bonded to a hydrogen atom and double-bonded to an oxygen atom. This organic compound is a clear, colorless to pale yellow liquid with a slightly sweet, warm, and floral odor. It is commonly found in essential oils and is known for its sweet and floral aroma, making it a popular ingredient in the flavoring and fragrance industry.

51301-87-2

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51301-87-2 Usage

Uses

Used in Flavoring Industry:
4-Butoxy-3-Methoxy-Benzaldehyde is used as a flavoring agent for its sweet and floral aroma, enhancing the taste and smell of various food products.
Used in Fragrance Products:
This chemical compound is used in the synthesis of fragrances due to its pleasant and distinctive scent, contributing to the creation of perfumes, soaps, and cosmetics.
Used in Pharmaceutical Synthesis:
4-Butoxy-3-Methoxy-Benzaldehyde is also utilized in the production of pharmaceuticals, where its chemical properties are harnessed for the development of various medicinal compounds.
Used in Perfumes, Soaps, and Cosmetics:
As a key component in essential oils, 4-Butoxy-3-Methoxy-Benzaldehyde is used in the formulation of perfumes, soaps, and cosmetics for its sweet and floral scent, adding a pleasant aroma to these products.
Safety Precautions:

Check Digit Verification of cas no

The CAS Registry Mumber 51301-87-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,3,0 and 1 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 51301-87:
(7*5)+(6*1)+(5*3)+(4*0)+(3*1)+(2*8)+(1*7)=82
82 % 10 = 2
So 51301-87-2 is a valid CAS Registry Number.
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

51301-87-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-butoxy-3-methoxybenzaldehyde

1.2 Other means of identification

Product number -
Other names 4-butyloxy-3-methoxybenzaldehyde

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:51301-87-2 SDS

51301-87-2Relevant academic research and scientific papers

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

Petrovi?, Milena M.,Roschger, Cornelia,Chaudary, Sidrah,Zierer, Andreas,Mladenovi?, Milan,Jakovljevi?, Katarina,Markovi?, Violeta,Botta, Bruno,Joksovi?, Milan D.

, (2020/10/21)

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.

Acid-alkaline degradation of the anionic surface active agent and its application

-

Paragraph 0028-0030, (2019/05/15)

The present invention discloses a structural formula (I) Compound and its use in the polymerization of the emulsion. And discloses the preparation process, using the compound prepared by the acid-base under the conditions of the rapid decomposition of the

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

Xue, Pengchong,Zhang, Chunyu,Wang, Kunpeng,Liang, Meng,Zhang, Tong

, p. 516 - 524 (2019/01/03)

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

Cocaine reward is reduced by decreased expression of receptor-type protein tyrosine phosphatase D (PTPRD) and by a novel PTPRD antagonist

Uhl, George R.,Martinez, Maria J.,Paik, Paul,Sulima, Agnieszka,Bi, Guo-Hua,Iyer, Malliga R.,Gardner, Eliot,Rice, Kenner C.,Xi, Zheng-Xiong

, p. 11597 - 11602 (2018/11/20)

Receptor-type protein tyrosine phosphatase D (PTPRD) is a neuronal cell-adhesion molecule/synaptic specifier that has been implicated in addiction vulnerability and stimulant reward by human genomewide association and mouse cocaine-conditioned place-preference data. However, there have been no reports of effects of reduced expression on cocaine self-administration. There have been no reports of PTPRD targeting by any small molecule. There are no data about behavioral effects of any PTPRD ligand. We now report (i) robust effects of heterozygous PTPRD KO on cocaine self-administration (These data substantially extend prior conditioned place-preference data and add to the rationale for PTPRD as a target for addiction therapeutics.); (ii) identification of 7-butoxy illudalic acid analog (7-BIA) as a small molecule that targets PTPRD and inhibits its phosphatase with some specificity; (iii) lack of toxicity when 7-BIA is administered to mice acutely or with repeated dosing; (iv) reduced cocaine-conditioned place preference when 7-BIA is administered before conditioning sessions; and (v) reductions in well-established cocaine self-administration when 7-BIA is administered before a session (in WT, not PTPRD heterozygous KOs). These results add to support for PTPRD as a target for medications to combat cocaine use disorders. 7-BIA provides a lead compound for addiction therapeutics.

Synthesis and liquid crystalline properties of a new homologous series of 4,5-disubstituted 2H-[1,2,3]-triazoles via azide-chalcone oxidative cycloaddition reaction

Sowmya,Rai, K. M. Lokanatha

, p. 764 - 768 (2017/07/07)

A new homologous series of 4,5-disubstituted 2H-[1,2,3]-triazole derivatives were synthesized from chalcones and sodium azide via oxidative cycloaddition reaction; CuI was used as catalyst. Flexibility in the synthesized molecules was provided by attaching straight alkoxy chains. The synthesized compounds were characterized by elemental analysis, and 1HNMRand 13CNMRand LC-MS spectroscopies . The stability and range of the mesophases increased with the length of the chain on the triazoles. The melting point, transition temperatures, and enantiotropic liquid crystal morphologies were determined by differential scanning calorimetry (DSC) and polarizing optical microscopy (POM) equipped with a hot stage. Journal compilation

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

Sowmya,Lokanatha Rai

, p. 67 - 73 (2017/01/24)

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.]

Ferrocenyl chalcones with O-alkylated vanillins: synthesis, spectral characterization, microbiological evaluation, and single-crystal X-ray analysis

Mu?kinja, Jovana,Burmud?ija, Adrijana,Ratkovi?, Zoran,Rankovi?, Branislav,Kosani?, Marijana,Bogdanovi?, Goran A.,Novakovi?, Sla?ana B.

, p. 1744 - 1753 (2016/10/03)

O-alkylated vanillin derivatives 2a–f and acetylferrocene react under Claisen–Schmidt conditions, resulting in good-to-high yields of the corresponding ferrocene chalcones 3a–f. None of the resultant compounds 3b–f has been previously described in the literature. All synthesized compounds were characterized by spectral and physical data, whereas two of them, 1-ferrocenyl-3-(4-ethoxy-3-methoxyphenyl)-prop-2-en-1-one (3b) and 1-ferrocenyl-3-(4-buthoxy-3-methoxy-phenyl)-prop-2-en-1-one (3e), were crystalline substances, suitable for single-crystal X-ray analysis, which confirmed undoubtedly their structures. Chalcones 3a–f were tested for their biological activity and demonstrated relatively good in vitro antimicrobial activity towards different strains of bacteria and fungi. The best antibacterial activity is expressed by compounds 3b and 3c, while compound 3d shows the best antifungal activity.

Fluorescence-enhanced gels of D-π-A diphenylacrylonitrile derivatives: Influence of nitro group and alkoxy chain

Wang, Sisi,Xue, Pengchong,Wang, Panpan,Yao, Boqi,Li, Kechang,Liu, BaiJun

, p. 302 - 309 (2015/08/06)

Abstract 4-nitrodiphenylacrylonitrile and diphenylacrylonitrile derivatives consisting of methoxy group and alkoxy chain with different lengths were synthesized and their gelation abilities were investigated. It was found that compounds with longer alkoxy

Facile bottom-up synthesis of coronene-based 3-fold symmetrical and highly substituted nanographenes from simple aromatics

Zhang, Qiang,Peng, Hanqing,Zhang, Guishan,Lu, Qiongqiong,Chang, Jian,Dong, Yeye,Shi, Xianying,Wei, Junfa

supporting information, p. 5057 - 5064 (2014/04/17)

A facile and efficient self-sorting assemble (CSA) strategy has been paved for bottom-up construction of the 3-fold symmetrical and highly substituted hexa-cata-hexabenzocoronenes (c-HBCs), the trithieno analogues, and larger disc-shaped PAHs from simple

Concurrent synthesis of vanillin and isovanillin

Huang, Wei-Bin,Du, Cai-Yan,Jiang, Jian-An,Ji, Ya-Fei

, p. 2849 - 2856 (2013/07/26)

A method for concurrent synthesis of vanillin and isovanillin has been developed by a nonregioselective Vilsmeier-Haack reaction of O-alkyl guaiacols. O-Alkylation of guaiacol provided the corresponding O-alkyl guaiacol (1), which was then formylated with N-methylformanilide/phosphorus oxychloride to give a mixture of 4-alkoxy-3-methoxy-benzaldehyde (2) and 3-alkoxy-4- methoxybenzaldehyde (3). Finally, the obtained mixture underwent a selective dealkylation by anhydrous aluminium trichloride, while leaving methyl groups intact to simultaneously achieve the significant fine chemicals vanillin and isovanillin.

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