4-(4-ETHYLPHENYL)BENZOIC ACID

Modify Date: 2026-07-02 06:10:58

4-(4-ETHYLPHENYL)BENZOIC ACID Structure
4-(4-ETHYLPHENYL)BENZOIC ACID structure
Common Name 4-(4-ETHYLPHENYL)BENZOIC ACID
CAS Number 5731-13-5 Molecular Weight 226.27000
Density 1.13g/cm3 Boiling Point 389.8ºC at 760 mmHg
Molecular Formula C15H14O2 Melting Point N/A
MSDS N/A Flash Point 180.5ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 4-(4-Ethylphenyl)Benzoic Acid
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.13g/cm3
Boiling Point 389.8ºC at 760 mmHg
Molecular Formula C15H14O2
Molecular Weight 226.27000
Flash Point 180.5ºC
Exact Mass 226.09900
PSA 37.30000
LogP 3.61420
InChIKey SCEBDBNGUCNRCE-UHFFFAOYSA-N
SMILES CCc1ccc(-c2ccc(C(=O)O)cc2)cc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: 4-Ethylbiphenyl-4 -carboxylic acid 98% Material Safety Data Sheet
Synonym: 4(4-Ethylphenyl)benzoic aci
CAS: 5731-13-5
Section 1 - Chemical Product MSDS Name:4-Ethylbiphenyl-4 -carboxylic acid 98% Material Safety Data Sheet
Synonym:4(4-Ethylphenyl)benzoic aci

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5731-13-5 4-Ethylbiphenyl-4'-carboxylic acid 98 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 5731-13-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220 - 222 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C15H14O2
Molecular Weight: 226.28

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 5731-13-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Ethylbiphenyl-4'-carboxylic acid - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 5731-13-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5731-13-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5731-13-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi
Risk Phrases R36/37/38
Safety Phrases S24/25-S36-S26
RIDADR UN 3077 9/PG 3
HS Code 2916399090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

~84%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Sabounchei, Seyyed Javad; Panahimehr, Mohammad; Ahmadi, Mohsen; Nasri, Zahra; Khavasi, Hamid Reza Journal of Organometallic Chemistry, 2013 , vol. 723, p. 207 - 213

~29%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Lucking; Tucci; Rudkevich; Rebek Jr. Journal of the American Chemical Society, 2000 , vol. 122, # 37 p. 8880 - 8889

~87%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Kurfuerst, Antonin; Lhotak, Pavel; Nadenik, Petr; Raclova-Pavlikova, Frantiska; Kuthan, Josef Collection of Czechoslovak Chemical Communications, 1991 , vol. 56, # 7 p. 1495 - 1504

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Collection of Czechoslovak Chemical Communications, , vol. 56, # 7 p. 1495 - 1504

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: Journal of the Chemical Society [Section] C: Organic, , p. 840 - 845

~%

4-(4-ETHYLPHENYL)BENZOIC ACID Structure

4-(4-ETHYLPHENY...

CAS#:5731-13-5

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Literature: DE2535046 , ; Chem.Abstr., , vol. 86, # 189552

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 4-(4-ETHYLPHENYL)BENZOIC ACIDBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Efficacy against RARbeta1
Source: ChEMBL
Target: Retinoic acid receptor beta
External Id: CHEMBL864471
Name: Binding affinity to Bcl-2 by NMR titration assay
Source: ChEMBL
Target: Apoptosis regulator Bcl-2
External Id: CHEMBL1273938
Name: Efficacy against RARbeta2
Source: ChEMBL
Target: Retinoic acid receptor beta
External Id: CHEMBL864470
Total 3, Current Page 1 of 1
1

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

4-(4-ethylphenyl)benzoic acid
EINECS 227-236-9
MFCD00010210

 4-(4-ETHYLPHENYL)BENZOIC ACID | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 4-(4-Ethylphenyl)Benzoic Acid?
A: SMILES notation of 4-(4-Ethylphenyl)Benzoic Acid is CCc1ccc(-c2ccc(C(=O)O)cc2)cc1.
Q: What is the molecular formula of 4-(4-Ethylphenyl)Benzoic Acid?
A: Molecular formula of 4-(4-Ethylphenyl)Benzoic Acid is C15H14O2.
Q: What are the upstream materials of 4-(4-Ethylphenyl)Benzoic Acid?
A: Related upstream materials(CAS) of 4-(4-Ethylphenyl)Benzoic Acid: 586-76-5;63139-21-9;619-58-9;22873-28-5;128860-87-7;852-38-0;5730-92-7;92-91-1;92-52-4;5707-44-8.
Q: What is the boiling point of 4-(4-Ethylphenyl)Benzoic Acid?
A: Boiling point of 4-(4-Ethylphenyl)Benzoic Acid is 389.8ºC at 760 mmHg.
Q: What is the CAS number of 4-(4-Ethylphenyl)Benzoic Acid?
A: CAS number of 4-(4-Ethylphenyl)Benzoic Acid is 5731-13-5.
Q: What English synonyms does 4-(4-Ethylphenyl)Benzoic Acid have?
A: English synonyms of 4-(4-Ethylphenyl)Benzoic Acid: 4-(4-ethylphenyl)benzoic acid, EINECS 227-236-9, MFCD00010210.
Q: What is the InChIKey of 4-(4-Ethylphenyl)Benzoic Acid?
A: InChIKey of 4-(4-Ethylphenyl)Benzoic Acid is SCEBDBNGUCNRCE-UHFFFAOYSA-N.
Q: What is the molecular weight of 4-(4-Ethylphenyl)Benzoic Acid?
A: Molecular weight of 4-(4-Ethylphenyl)Benzoic Acid is 226.27000.
Q: What is the LogP of 4-(4-Ethylphenyl)Benzoic Acid?
A: LogP of 4-(4-Ethylphenyl)Benzoic Acid is 3.61420.
Q: What is the English name of 4-(4-Ethylphenyl)Benzoic Acid?
A: The English name of 4-(4-Ethylphenyl)Benzoic Acid is 4-(4-Ethylphenyl)Benzoic Acid.

 4-(4-ETHYLPHENYL)BENZOIC ACIDfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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