Methyl octanoate

Cat. No.: HY-W087943 Purity: 99.55%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Methyl octanoate, a volatile compound, is an aroma component persimmon wine.

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

Methyl octanoate Chemical Structure

CAS No. : 111-11-5

Size	Price	Stock	Quantity
Liquid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 55	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 55	In-stock	Estimated Time of Arrival: December 31
Liquid
500 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
1 g		Get quote
5 g		Get quote

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This product is a controlled substance and not for sale in your territory.

Other Forms of Methyl octanoate:

Methyl octanoate-d₁₅ Get quote

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Biological Activity
Purity & Documentation
References
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Description

Methyl octanoate, a volatile compound, is an aroma component persimmon wine^[1].

Molecular Weight

158.24

Formula

C₉H₁₈O₂

CAS No.

111-11-5

Appearance

Liquid (Density: 0.878 g/cm³)

Color

Colorless to light yellow

SMILES

CCCCCCCC(OC)=O

Structure Classification

Others

Initial Source

Microorganisms

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 : 100 mg/mL (631.95 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	6.3195 mL	31.5976 mL	63.1951 mL
5 mM	1.2639 mL	6.3195 mL	12.6390 mL
10 mM	0.6320 mL	3.1598 mL	6.3195 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, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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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 (15.80 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 (15.80 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 (15.80 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: 99.55%

Select Batch:

Data Sheet (266 KB) SDS (392 KB)

COA (241 KB) HNMR (120 KB) GC (185 KB)

Handling Instructions (2659 KB)

References

[1]. Lu Y, et, al. Changes in the physicochemical components, polyphenol profile, and flavor of persimmon wine during spontaneous and inoculated fermentation. Food Sci Nutr. 2020 Apr 14;8(6):2728-2738. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	6.3195 mL	31.5976 mL	63.1951 mL	157.9879 mL
	5 mM	1.2639 mL	6.3195 mL	12.6390 mL	31.5976 mL
	10 mM	0.6320 mL	3.1598 mL	6.3195 mL	15.7988 mL
	15 mM	0.4213 mL	2.1065 mL	4.2130 mL	10.5325 mL
	20 mM	0.3160 mL	1.5799 mL	3.1598 mL	7.8994 mL
	25 mM	0.2528 mL	1.2639 mL	2.5278 mL	6.3195 mL
	30 mM	0.2107 mL	1.0533 mL	2.1065 mL	5.2663 mL
	40 mM	0.1580 mL	0.7899 mL	1.5799 mL	3.9497 mL
	50 mM	0.1264 mL	0.6320 mL	1.2639 mL	3.1598 mL
	60 mM	0.1053 mL	0.5266 mL	1.0533 mL	2.6331 mL
	80 mM	0.0790 mL	0.3950 mL	0.7899 mL	1.9748 mL
	100 mM	0.0632 mL	0.3160 mL	0.6320 mL	1.5799 mL