3-Phenylpropyl acetate

Name: 3-Phenylpropyl acetate
Brand: MedChemExpress
SKU: HY-W130596
Rating: 4.5 (0 reviews)

Cat. No.: HY-W130596 Purity: 99.37%: Data Sheet
COA

SDS
Handling Instructions
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3-Phenylpropyl acetate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters (AAASAE). 3-Phenylpropyl acetate has acute toxicity in rats and rabbits and shows no skin sensitization in guinea pigs. 3-Phenylpropyl acetate can be used as a fragrance ingredient.

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

3-Phenylpropyl acetate Chemical Structure

CAS No. : 122-72-5

Size	Stock	Quantity
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Liquid
5 g	In-stock	Estimated Time of Arrival: December 31
10 g	In-stock	Estimated Time of Arrival: December 31
25 g	In-stock	Estimated Time of Arrival: December 31
50 g	Get quote

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Biological Activity
Purity & Documentation
References
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Description

In Vitro

3-Phenylpropyl acetate is not hydrolyzed by partially purified human plasma aryl esterase^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

3-Phenylpropyl acetate (2.22-7.0 g/kg; p.o.; 5 g/kg adminisste dermally) exhibits acute toxicity in rats, rabbits (with an oral LD₅₀ of 4.7 g/kg in rats, dermal LD₅₀ >5 g/kg in rabbits)^[1].
3-Phenylpropyl acetate (0.3-100% in 1mL; applied daily for 3 weeks) shows no skin sensitization in guinea pigs^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Molecular Weight

178.23

Formula

C₁₁H₁₄O₂

CAS No.

122-72-5

Appearance

Liquid (Density: 1.012 g/cm³)

SMILES

CC(=O)OCCCC1=CC=CC=C1

Initial Source

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Store at room temperature 3 years

In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 200 mg/mL (1122.15 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	5.6107 mL	28.0536 mL	56.1073 mL
5 mM	1.1221 mL	5.6107 mL	11.2215 mL
10 mM	0.5611 mL	2.8054 mL	5.6107 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, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

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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

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In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

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

Calculation results:

Working solution concentration: mg/mL

Purity & Documentation

Purity: 99.37%

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Data Sheet (268 KB) SDS (394 KB)

COA (244 KB) HNMR (118 KB) GC (176 KB)

Handling Instructions (2659 KB)

References

[1]. McGinty D, et al. Fragrance material review on 3-phenylpropyl acetate. Food Chem Toxicol. 2012;50 Suppl 2:S457-S461. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.6107 mL	28.0536 mL	56.1073 mL	140.2682 mL
	5 mM	1.1221 mL	5.6107 mL	11.2215 mL	28.0536 mL
	10 mM	0.5611 mL	2.8054 mL	5.6107 mL	14.0268 mL
	15 mM	0.3740 mL	1.8702 mL	3.7405 mL	9.3512 mL
	20 mM	0.2805 mL	1.4027 mL	2.8054 mL	7.0134 mL
	25 mM	0.2244 mL	1.1221 mL	2.2443 mL	5.6107 mL
	30 mM	0.1870 mL	0.9351 mL	1.8702 mL	4.6756 mL
	40 mM	0.1403 mL	0.7013 mL	1.4027 mL	3.5067 mL
	50 mM	0.1122 mL	0.5611 mL	1.1221 mL	2.8054 mL
	60 mM	0.0935 mL	0.4676 mL	0.9351 mL	2.3378 mL
	80 mM	0.0701 mL	0.3507 mL	0.7013 mL	1.7534 mL
	100 mM	0.0561 mL	0.2805 mL	0.5611 mL	1.4027 mL