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Benzoic acid, 4-(octyloxy)-, ethyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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72885-31-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 72885-31-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,8,8 and 5 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 72885-31:
(7*7)+(6*2)+(5*8)+(4*8)+(3*5)+(2*3)+(1*1)=155
155 % 10 = 5
So 72885-31-5 is a valid CAS Registry Number.

72885-31-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-octyloxy-benzoic acid ethyl ester

1.2 Other means of identification

Product number -
Other names ethyl p-octyloxybenzoate

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:72885-31-5 SDS

72885-31-5Relevant academic research and scientific papers

The synthesis and dielectric properties of a new phenylbenzoate-based calamitic liquid crystal

Ahlatc?o?lu ?zerol, Esma,Ocak, Hale,Bilgin Eran, Belk?z,Karavelio?lu, Selvi

, p. 225 - 232 (2020/08/10)

The dielectric investigation has a great importance in liquid crystal studies as a supportive method to DSC for a complete characterization of liquid crystals as well as in the electronic applications. In this study, the synthesis, mesomorphic characterization and dielectric properties of a new phenylbenzoate-based three-ring calamitic liquid crystal which composed of ester linking groups, (S)-3,7-dimethyloctyloxy chiral unit at one of terminals and n-octyloxy chain at the other end of the molecule, have been reported. The new calamitic liquid crystal 4-[4-((S)-3,7-dimethyloctyloxy)phenoxy)carbonyl]phenyl 4-(n-octyloxy)benzoate (DPCPB) has been characterized using 1H, 13C-NMR and MS-QTOF. The liquid crystalline behavior of the target compound has been investigated by differential scanning calorimetry and optical polarizing microscopy. DPCPB exhibits an enantiotropic non-tilted smectic mesophase in a wide temperature range. The real and imaginary dielectric constant, conductivity mechanism, impedance and dielectric relaxation mechanism of DPCPB have been investigated depending on frequency at different temperatures.

Synthesis and mesomorphic characterization of some novel steroidal mesogens: A structure–property correlation

Bhat S, Vanishree,Kumar, Sandeep,Raghunathan, V. A.

, (2021/08/25)

The steroidal derivatives are found to be extremely good mesogens since their inception. Because of their inherent chirality, they have the potential to induce a wide variety of liquid crystalline phases, including frustrated phases depending upon the structure of the steroidal skeleton and the substituents attached. In this report, a series of novel monoalkoxy and dialkoxy benzoate derivatives of ergosterol and a few monoalkoxy derivatives of stigmasterol have been synthesized and their mesomorphic property has been investigated. The derivatives exhibited various mesophases including SmA, SmC*, N*, TGB and blue phases. Also, the gelation ability of some of these derivatives with various organic solvents has been examined. Furthermore, the mesomorphism of these derivatives has been compared with the analogous cholesteryl counterparts.

Nonsymmetrical cholesterol dimers constituting regioisomeric oxadiazole and thiadiazole cores: an investigation of the structure-property correlation

Pradhan, Balaram,Chakraborty, Nirmalangshu,Gupta, Ravindra Kumar,Shanker,Achalkumar, Ammathnadu S.

supporting information, p. 879 - 888 (2017/02/05)

Three series of chiral nonsymmetrical dimers were prepared by connecting promesogenic cholesterol to a bent structure derived from a substituted 1,3,4-oxadiazole or 1,2,4-oxadiazole or 1,3,4-thiadiazole moiety. These two mesogenic segments are interconnected through spacers of varying lengths and parity. The structures of the bent achiral unit were systematically varied with different central heterocyclic cores to understand the influence of bent angles on the thermal and gelation behavior. The bent angle of the achiral unit, which is determined by the heterocyclic core, has a major role in the stabilization of frustrated phases. Dimers based on the 1,3,4-oxadiazole unit with a more bent structure stabilized frustrated phases like blue phases and twist grain boundary phases. The bent system with a wider bent angle preferred to stabilize chiral nematic and smectic A phases. It is interesting to note that an increased bent structure reduced the mesophase stability as in the case of dimers based on the 1,3,4-oxadiazole unit, where many compounds exhibited monotropic phases. In the case of dimers with a wider bent angle, enantiotropic mesomorphism was observed. All the compounds showed blue light emission in the solution. Among these chiral dimers, only the compounds based on the 1,3,4-oxadiazole unit showed the gelation ability, which emphasizes how small structural changes like bent angle, dipole moment and the type of heteroatom in the heterocyclic unit affect the macroscopic self-assembly.

Tuning the self-assembly and photophysical properties of bi-1,3,4-thiadiazole derivatives through electron donor-acceptor interactions and their application in OLEDs

Yadav, Abhay Kumar,Pradhan, Balaram,Ulla, Hidayath,Nath, Subrata,De, Joydip,Pal, Santanu Kumar,Satyanarayan,Achalkumar, Ammathnadu S.

supporting information, p. 9345 - 9358 (2017/09/29)

We report several shape anisotropic molecules that contain two centrally placed 1,3,4-thiadiazole units, which vary from each other with respect to the number and length of the flexible chains at the termini. The number, position and length of the periphe

Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents

Hickey, Shane M.,Ashton, Trent D.,Khosa, Simren K.,Robson, Ryan N.,White, Jonathan M.,Li, Jian,Nation, Roger L.,Yu, Heidi Y.,Elliott, Alysha G.,Butler, Mark S.,Huang, Johnny X.,Cooper, Matthew A.,Pfeffer, Frederick M.

supporting information, p. 6225 - 6241 (2015/06/08)

A series of structurally amphiphilic biscationic norbornanes have been synthesised as rigidified, low molecular weight peptidomimetics of cationic antimicrobial peptides. A variety of charged hydrophilic functionalities were attached to the norbornane scaffold including aminium, guanidinium, imidazolium and pyridinium moieties. Additionally, a range of hydrophobic groups of differing sizes were incorporated through an acetal linkage. The compounds were evaluated for antibacterial activity against both Gram-negative and Gram-positive bacteria. Activity was observed across the series; the most potent of which exhibited an MIC's ≤ 1 μg mL-1 against Streptococcus pneumoniae, Enterococcus faecalis and several strains of Staphylococcus aureus, including multi-resistant methicillin resistant (mMRSA), glycopeptide-intermediate (GISA) and vancomycin-intermediate (VISA) S. aureus.

Synthesis and anticonvulsant activity evaluation of 4-butyl-5-(4- alkoxyphenyl)-2H-1,2,4-triazole-3(4H)-ones

Zhu, Zi-Shi,Wang, Shi-Ben,Deng, Xian-Qing,Liu, Da-Chuan,Quan, Zhe-Shan

, p. 628 - 635 (2014/05/20)

A series of 4-butyl-5-(4-alkoxyphenyl)-2H-1,2,4-triazole-3(4H)-ones (6a-6u) was designed and synthesized. The anticonvulsant effects and neurotoxicity of the compounds were evaluated with maximal electroshock test and rotarod test. Among the synthetic compounds, 4-butyl-5-(4-(2-fluorinebenzyl)phenyl)-2H-1,2,4- triazole-3 (4H)-one (6k) was the most potent with ED50 value of 27.4 mg/kg and protective index (PI = TD50/ED50) value of 12.0. Besides the anti-MES efficacy, the potency of compound 6k against seizures induced by pentylenetetrazole (PTZ), 3-mercaptopropionic acid (3-MP), and bicuculline (BIC) was also established, which suggested that the mechanisms of action including enhancing of GABAergic activity might be involved in its anticonvulsant activity.

Synthesis, characterization and mesomorphic investigations of ester-substituted aroylhydrazones possessing a lateral hydroxyl group

Singh, Sachin Kumar,Singh, Hemant Kumar,Nandi, Rajib,Kumar, Vijay,Tarcea, Nicolae,Popp, Jürgen,Singh, Ranjan K.,Singh, Bachcha

, p. 99 - 112 (2014/04/17)

The synthesis, characterization and investigation of a new liquid crystalline series of ester containing aroylhydrazones with a lateral hydroxyl group, N-[4-(4′-alkoxy)benzoyloxy-2-hydroxy-benzylidene]-N′- [4″-alkoxybenzoyl]hydrazine (Cm,nLH), with the same or different peripheral alkoxy chains, and some of their nickel(II) and copper(II) complexes are described. All the ligands, except those with no terminal chains on either end of the molecule, exhibit an enantiotropic SmC mesophase, as evidenced by polarizing optical microscopy and differential scanning calorimetric studies. It has been found that addition of a lateral hydroxyl group along with ester-substitution to the aroylhydrazone core increases the mesomorphic as well as thermal stability of the ligands. Also, the coordination of Ni2+ and Cu2+ with the aroylhydraozone core inhibits the mesomorphic potential of the ligands. A temperature dependent Raman study of one of the members, C12,12LH (m = n = 12) has been made to identify phase transitions and to understand the molecular rearrangement as a result of changes in intermolecular interactions at the phase transition. DFT calculations have been performed to obtain the stable electronic structure of the ligand (C6,6LH) and its nickel(II) complex.

New mesomorphic benzothiazol derivatives: Synthesis and characterization

Koh, Teck-Ming,Ha, Sie-Tiong,Yeap, Guan-Yeow,Lin, Hong-Cheu

, p. 926 - 928 (2013/09/24)

In this paper, the synthesis of new mesomorphic benzothiazolyl derivatives, 6-ethoxy-2-[4-(4-alkyloxybenzoyloxy)benzylidenamino]benzothiazoles, is presented. The structures of the title compounds were elucidated using spectroscopic techniques, such as FT-IR, NMR (1H and 13C), elemental analysis and EI-MS. The mesomorphic behaviours of these compounds were determined by differential scanning calorimetric and polarizing optical microscopic techniques. Compounds exhibited nematic and tilted smectic phases upon heating from crystal phase. An obvious odd-even effect was observed in this homologous series.

Synthesis and mesomorphic evaluation of new calamitic liquid crystals containing benzothiazole core

Koh, Teck Ming,Ha, Sie Tiong,Lee, Teck Leong,Lee, Siew Ling,Yeap, Guan Yeow,Lin, Hong Cheu,Subramaniam, Ramesh T.

scheme or table, p. 619 - 622 (2012/02/01)

The design and synthesis of new calamitic benzothiazole-based liquid crystals, 2-[4-(4-alkyloxybenzoyloxy)-phenyl]benzothiazoles are presented. The target compound was characterized using spectroscopic techniques, such as FT-IR, NMR (1H and 13C), microanalysis and EI-MS. The liquid crystalline behaviours of these compounds were thoroughly examined by differential scanning calorimetry and polarizing optical microscope techniques. These materials exhibited enantiotropic nematic phase with high thermal stability (>168 °C). Smectic A phase starts to emerge as monotropic (metastable) phase from C10 member and changes into enantiotropic (stable) phase from C12 and persists up to C16 members.

Self-assembly of imidazolium-based rodlike ionic liquid crystals: transition from lamellar to micellar organization

Cheng, Xiaohong,Bai, Xueqing,Jing, Shan,Ebert, Helgard,Prehm, Marko,Tschierske, Carsten

supporting information; experimental part, p. 4588 - 4601 (2010/08/19)

By using aryl-amination chemistry, a series of rodlike 1-phenyl1H- imidazole-based liquid crystals (LCs) and related imidazolium-based ionic liquid crystals (ILCs) has been prepared. The number and length of the C-terminal chains (at the noncharged end of the rodlike core) and the length of the N-terminal chain (on the imidazolium unit in the ILCs) were modified and the influence of these structural parameters on the mode of self-assembly in LC phases was investigated by polarizing microscopy, differential scanning calorimetry, and X-ray diffraction. For the single-chain imidazole derivatives nematic phases (N) and bilayer SmA2 phases were found, but upon increasing the number of alkyl chains the LC phases were lost. For the related imidazolium salts LC phases were preserved upon increasing the number and length of the C-terminal chains and in this series it leads to the phase sequence SmA-columnar (Col)-micellar cubic (Cuby1/Pm3n). Elongation of the N-terminal chain gives the reversed sequence. Short Nterminal chains prefer an end-to-end packing of the mesogens in which these chains are separated from the C-terminal chains. Elongation of the N-terminal chain leads to a mixing of N- and C-terminal chains, which is accompanied by complete intercalation of the aromatic cores. In the smectic phases this gives rise to a transition from bilayer (SmA2) to monolayer smectic (SmA) phases. For the columnar and cubic phases the segregated end-to-end packing leads to core-shell aggregates. In this case, elongation of the N-terminal chains distorts core-shell formation and removes Cub1 and Col phases in favor of single-layer SmA phases. Hence, by tailoring the length of the N-terminal chain, a crossover from taper-shaped to polycatenar LC tectons was achieved, which provides a powerful tool for control of self-assembly in ILCs.

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