3-Phenylbutyric acid

Name: 3-Phenylbutyric acid
Brand: MedChemExpress
SKU: HY-W017189
Rating: 4.5 (1 reviews)

Cat. No.: HY-W017189 Purity: 99.94%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

3-Phenylbutyric acid is metabolized by initial oxidation of the benzene ring and by initial oxidation of the side chain. 3-Phenylbutyric acid can be used to isolate Rhodococcus rhodochrous PB1 from compost soil.

For research use only. We do not sell to patients.

3-Phenylbutyric acid Chemical Structure

CAS No. : 4593-90-2

Size	Price	Stock	Quantity
Free Sample (0.1 - 0.5 mg)		Apply Now
100 mg	USD 25	In-stock	Estimated Time of Arrival: December 31
500 mg	USD 45	In-stock	Estimated Time of Arrival: December 31
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5 g		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

Cellular Effect

Cell Line	Type	Value	Description	References
U-937	IC₅₀	> 2000 μM Compound: 23	Antiproliferative activity against human U937 cells assessed as incorporation of [3H]-methyl-thymidine after 12 hrs by scintillation counting Antiproliferative activity against human U937 cells assessed as incorporation of [3H]-methyl-thymidine after 12 hrs by scintillation counting	[PMID: 22925447]
U-937	CC₅₀	> 2000 μM Compound: 23	Cytotoxicity against human U937 cells after 48 hrs by trypan blue assay Cytotoxicity against human U937 cells after 48 hrs by trypan blue assay	[PMID: 22925447]

Molecular Weight

164.20

Formula

C₁₀H₁₂O₂

CAS No.

4593-90-2

Appearance

<35°C Solid,>38°C Liquid

Color

White to light yellow

SMILES

O=C(O)CC(C)C1=CC=CC=C1

Structure Classification

Ketones, Aldehydes, Acids

Initial Source

Endogenous metabolite

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Pure form	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (609.01 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	6.0901 mL	30.4507 mL	60.9013 mL
5 mM	1.2180 mL	6.0901 mL	12.1803 mL
10 mM	0.6090 mL	3.0451 mL	6.0901 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (15.23 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (15.23 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (15.23 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.94%

Select Batch:

Data Sheet (270 KB) SDS (393 KB)

COA (246 KB) HNMR (237 KB) LCMS (88 KB)

Handling Instructions (2659 KB)

References

[1]. Simoni S, et al. Enantioselective Metabolism of Chiral 3-Phenylbutyric Acid, an Intermediate of Linear Alkylbenzene Degradation, by Rhodococcus rhodochrous PB1. Appl Environ Microbiol. 1996 Mar;62(3):749-55. [Content Brief]

[2]. Sariaslani FS, et al. Degradation of 3-phenylbutyric acid by Pseudomonas sp. J Bacteriol. 1982 Oct;152(1):411-21. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	6.0901 mL	30.4507 mL	60.9013 mL	152.2534 mL
	5 mM	1.2180 mL	6.0901 mL	12.1803 mL	30.4507 mL
	10 mM	0.6090 mL	3.0451 mL	6.0901 mL	15.2253 mL
	15 mM	0.4060 mL	2.0300 mL	4.0601 mL	10.1502 mL
	20 mM	0.3045 mL	1.5225 mL	3.0451 mL	7.6127 mL
	25 mM	0.2436 mL	1.2180 mL	2.4361 mL	6.0901 mL
	30 mM	0.2030 mL	1.0150 mL	2.0300 mL	5.0751 mL
	40 mM	0.1523 mL	0.7613 mL	1.5225 mL	3.8063 mL
	50 mM	0.1218 mL	0.6090 mL	1.2180 mL	3.0451 mL
	60 mM	0.1015 mL	0.5075 mL	1.0150 mL	2.5376 mL
	80 mM	0.0761 mL	0.3806 mL	0.7613 mL	1.9032 mL
	100 mM	0.0609 mL	0.3045 mL	0.6090 mL	1.5225 mL