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4-(4-Ethylphenyl)butanoic acid, also known as Pentaerythrityl tetranicotinate, is a chemical compound belonging to the benzoic acids class. It has the molecular formula C12H16O2 and is characterized by a four-carbon butanoic acid chain with an additional ethylphenyl group in the fourth position. 4-(4-Ethylphenyl)butanoic acid is stable under normal temperatures and pressures, but may decompose when exposed to strong oxidizing agents. It exhibits a very faint, mild odor and a light yellow color, and is recommended to be stored in a cool, dry place with adequate ventilation.

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  • 5467-53-8 Structure
  • Basic information

    1. Product Name: 4-(4-ethylphenyl)butanoic acid
    2. Synonyms: 4-(4-ethylphenyl)butanoic acid;OTAVA-BB 1043352;UKRORGSYN-BB BBV-183178;4-(4-ethylphenyl)butyric acid;4-(4-ethylphenyl)butanoic acid(SALTDATA: FREE);4-Ethylbenzenebutanoic acid;4-(p-Ethylphenyl)butyric acid
    3. CAS NO:5467-53-8
    4. Molecular Formula: C12H16O2
    5. Molecular Weight: 192.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5467-53-8.mol
  • Chemical Properties

    1. Melting Point: 74℃
    2. Boiling Point: 321.8 °C at 760 mmHg
    3. Flash Point: 218.8 °C
    4. Appearance: /
    5. Density: 1.052g/cm3
    6. Vapor Pressure: 0.000121mmHg at 25°C
    7. Refractive Index: 1.527
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(4-ethylphenyl)butanoic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(4-ethylphenyl)butanoic acid(5467-53-8)
    12. EPA Substance Registry System: 4-(4-ethylphenyl)butanoic acid(5467-53-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5467-53-8(Hazardous Substances Data)

5467-53-8 Usage

Uses

Used in Food Industry:
4-(4-Ethylphenyl)butanoic acid is used as an acidulant for adjusting the acidity levels in various food products, enhancing their taste and stability.
Used in Pharmaceutical Industry:
4-(4-Ethylphenyl)butanoic acid is used as a bulking agent in the formulation of medications, contributing to the overall volume and consistency of the final product.
Used in Cosmetic Industry:
4-(4-Ethylphenyl)butanoic acid is used as an artificial preservative in cosmetic products, helping to maintain their shelf life and prevent spoilage.
Used in Plastics Industry:
4-(4-Ethylphenyl)butanoic acid is used as an additive in the production of plastics, improving their properties such as flexibility and durability.

Check Digit Verification of cas no

The CAS Registry Mumber 5467-53-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,6 and 7 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 5467-53:
(6*5)+(5*4)+(4*6)+(3*7)+(2*5)+(1*3)=108
108 % 10 = 8
So 5467-53-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H16O2/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14/h6-9H,2-5H2,1H3,(H,13,14)

5467-53-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(4-ethylphenyl)butanoic acid

1.2 Other means of identification

Product number -
Other names 4-Ethylbenzenebutanoic acid

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:5467-53-8 SDS

5467-53-8Relevant articles and documents

PYRAZOLE-CONTAINING MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS

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Page/Page column 111; 112, (2019/10/04)

In one aspect, the invention comprises compounds that bind and inhibit macrophage migration inhibitory factor. In another aspect, the invention provides methods of treating inflammatory disease, neurological disorders and cancer using the compounds of the invention.

Optimization of Pyrazoles as Phenol Surrogates to Yield Potent Inhibitors of Macrophage Migration Inhibitory Factor

Trivedi-Parmar, Vinay,Robertson, Michael J.,Cisneros, José A.,Krimmer, Stefan G.,Jorgensen, William L.

supporting information, p. 1092 - 1097 (2018/04/30)

Macrophage migration inhibitory factor (MIF) is a proinflammatory cytokine that is implicated in the regulation of inflammation, cell proliferation, and neurological disorders. MIF is also an enzyme that functions as a keto–enol tautomerase. Most potent MIF tautomerase inhibitors incorporate a phenol, which hydrogen bonds to Asn97 in the active site. Starting from a 113-μm docking hit, we report results of structure-based and computer-aided design that have provided substituted pyrazoles as phenol alternatives with potencies of 60–70 nm. Crystal structures of complexes of MIF with the pyrazoles highlight the contributions of hydrogen bonding with Lys32 and Asn97, and aryl–aryl interactions with Tyr36, Tyr95, and Phe113 to the binding.

PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS

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, (2008/12/07)

The present invention provides phenylalkylcarboxylic acid compounds and compositions containing such compounds which facilitate the delivery of biologically active agents.

4,5-DIHYDRONAPHTHO [1,2-b] THIOPHENE DERIVATIVE

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Page/Page column 12, (2010/11/08)

A 4,5-dihydronaphtho[1,2-b]thiophene derivative expressed by the formula: (wherein R1 is a C1 to C10 1-hydroxyalkyl group or a C1 to C10 acyl group, and R2 and R3 separately substitute in the 6-, 7-, 8-, or 9-positions, and are each independently a hydrogen atom, a halogen atom, a C1 to C10 alkyl group, a hydroxy group, a C1 to C10 alkoxy group, a C1 to C5 alkenyloxy group, a C1 to C5 alkynyloxy group, a benzyloxy group, or the like, provided that when R1 is an acyl group and R2 is a hydrogen atom, then R3 is neither a hydrogen atom nor an acetyl group), or a pharmaceutically acceptable salt thereof. This is a novel compound that is effective in reducing triglyceride levels in the liver and reducing blood glucose levels.

ARYL(ALKYL)PROPYLAMIDES

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, (2008/06/13)

The invention relates to a compound selected from those of formula (I) : STR1 in which A, R 1, R' 1, R 2, R 3 and n are as defined in the description, and medicinal product containing the same useful for treating a mammal afflicted with a disorder of the

TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS

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, (2008/06/13)

This invention relates to compounds of formula (I) wherein R. sup.1, R. sup.2, R 3, R 4 and X are as defined in the application. These compounds are CCK-B receptor antagonists and are useful in the treatment and prevention of central nervous system and gastrointestinal disorders. STR1

Structural optimization of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepines as antagonists for platelet activating factor: Pharmacological contribution of substituents at the 2- and 6-positions of a condensed ring system

Kawakami,Kitani,Yuasa,Abe,Moriwaki,Kagoshima,Terasawa,Tahara

, p. 683 - 692 (2007/10/03)

A series of 4-(2-chlorophenyl)-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine derivatives bearing substituents at the 2- and 6-positions were synthesized, and evaluated in vitro for their inhibitory activity on rabbit platelet aggregation induced by platelet activating factor (PAF) and in vivo for their preventing effect on PAF-induced mortality in mice. The length of alkyl or arylalkyl side chain at the 2-position was responsible for enhancing the affinity for the PAF receptor. The simultaneous substitution at both the 2- and 6-positions resulted in a successful separation of the affinity for the PAF receptor from that for the benzodiazepine (BZ) receptor. Thus, (±)-4-(2-chlorophenyl)-2-[2-(4-isobutylphenyl)ethyl]- 6,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4] diazepine (Y-24180) was confirmed to be a specific antagonist for the PAF receptor and is currently under clinical trials.

SCHWEFELVERBINDUNGEN DES ERDOELS XIII. 2,11-DIALKYLDINAPHTHO--THIOPHENE UND 2,12-DIALKYLDINAPHTHO-1,4-DITHIINE

Nink, Gunter,Boberg, Friedrich

, p. 227 - 233 (2007/10/02)

Starting with 7-alkyl-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ones 1 2,11-dialkylnaphthothiophenes 9 and 2,12-dialkyldinaphtho-1,4-dithiines 8 are synthesized according to Scheme 2.The anellation on 9 is proved by nmr-data.

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