Citronellyl acetate

Name: Citronellyl acetate
Brand: MedChemExpress
SKU: HY-N7144A
Rating: 4.5 (1 reviews)

Cat. No.: HY-N7144A Purity: 98.0%: Data Sheet
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Citronellyl acetate, a monoterpene product of the secondary metabolism of plants, is an orally active antinociceptive agent. Citronellyl acetate modulates TRPV1, TRPM8, ASIC, glutamate receptors, PKC, and PKA-mediated nociception. Citronellyl acetate can be used for the research of acute pain.

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

Citronellyl acetate Chemical Structure

CAS No. : 150-84-5

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
1 g	In-stock	Estimated Time of Arrival: December 31
5 g	Get quote
10 g	Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of Citronellyl acetate:

Citronellyl acetate (Standard) Get quote

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All PKC Isoform Specific Products:

View All Isoforms

PKC PKCα PKCβ PKCγ PKCδ PKCε PKCη PKCζ PKCθ PKCμ PKC-ι ℩ PKCι

View All TRP Channel Isoform Specific Products:

View All Isoforms

TRPA1 TRPC3 TRPC4 TRPC5 TRPC6 TRPC7 TRPM8 TRPM2 TRPM3 TRPM4 TRPM7 TRPML1 TRPML2 TRPML3 TRPV1 TRPV2 TRPV3 TRPV4 TRPV6

View All PKA Isoform Specific Products:

View All Isoforms

PKA PKAR PKACα

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

TRPV1

TRPM8

Cellular Effect

Cell Line	Type	Value	Description	References
HEK293	EC₅₀	12.2 μM Compound: 3a	Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry	[PMID: 25455494]
HEK293	IC₅₀	> 100 μM Compound: 3a	Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry	[PMID: 25455494]
HEK293	IC₅₀	> 100 μM Compound: 3a	Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry Antagonist activity against rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry	[PMID: 25455494]
HEK293	IC₅₀	> 100 μM Compound: 3a	Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced increase in intracellular Ca2+ concentration by Fluo-4-AM dye based spectrofluorimetry	[PMID: 25455494]

In Vivo

Citronellyl acetate (25-200 mg/kg; i.g.; single dose; 30-360 minutes pre-Acetic acid) produces dose-dependent antinociceptive activity in the Acetic acid (HY-Y0319)-induced writhing model, with an ED₅₀ of 74.42 mg/kg, and the 200 mg/kg dose maintains effects for up to 4 hours post-administration^[1].
Citronellyl acetate (100-200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-formalin) produces significant antinociception in both the neurogenic and inflammatory phases of the formalin-induced paw-licking model^[1].
Citronellyl acetate (100-200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-glutamate) inhibits glutamate-induced nociceptive behavior, indicating involvement of glutamate receptors in its antinociceptive mechanism^[1].
Citronellyl acetate (100-200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-capsaicin) inhibits TRPV1-mediated nociception induced by Capsaicin (HY-10448)^[1].
Citronellyl acetate (100-200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-menthol) inhibits TRPM8-mediated nociception induced by menthol^[1].
Citronellyl acetate (100-200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-acidified saline) inhibits ASIC-mediated nociception induced by acidified saline^[1].
Citronellyl acetate (200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-PMA) inhibits PKC-mediated nociception induced by PMA (HY-18739)^[1].
Citronellyl acetate (200 mg/kg; p.o.; single dose; 30 or 60 minutes pre-8-Br-cAMP) inhibits PKA-mediated nociception induced by 8-Br-cAMP (HY-12306A)^[1].

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

Animal Model:	Swiss mice with Acetic acid -induced writhing model (male, 4+ weeks old, 26-32 g)^[1]
Dosage:	25, 50, 75, 100, 200 mg/kg
Administration:	i.g.; single dose; 30-360 minutes pre-acetic acid
Result:	Determined an ED₅₀ of 74.42 mg/kg for antinociceptive activity. Reduced the number of writhings at 100 and 200 mg/kg. Exhibited antinociceptive effects from 30 to 240 minutes post-administration at 200 mg/kg, with maximum effect between 60-120 minutes.

Animal Model:	Swiss mice with Formalin-induced paw-licking model (male, 4+ weeks old, 26-32 g)^[1]
Dosage:	100 mg/kg; 200 mg/kg
Administration:	P.o.; single dose; 30 or 60 minutes pre-formalin
Result:	Reduced early phase paw-licking time to 44.63 ± 4.910 seconds at 100 mg/kg. Reduced late phase paw-licking time to 11.63 ± 2.976 seconds at 100 mg/kg. Reduced early phase paw-licking time to 44.38 ± 3.836 seconds at 200 mg/kg. Reduced late phase paw-licking time to 9.875 ± 2.083 seconds at 200 mg/kg.

Molecular Weight

198.30

Formula

C₁₂H₂₂O₂

CAS No.

150-84-5

Appearance

Liquid (Density: 0.891 g/cm³)

Color

Colorless to light yellow

SMILES

C/C(C)=C\CCC(C)CCOC(C)=O

Structure Classification

Others

Initial Source

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 (504.29 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	5.0429 mL	25.2143 mL	50.4286 mL
5 mM	1.0086 mL	5.0429 mL	10.0857 mL
10 mM	0.5043 mL	2.5214 mL	5.0429 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 (12.61 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 (12.61 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 (12.61 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: 98.0%

Select Batch:

Data Sheet (269 KB) SDS (761 KB)

COA (240 KB) HNMR (240 KB)

Handling Instructions (2659 KB)

References

[1]. Rios ER, et al. TRP and ASIC channels mediate the antinociceptive effect of citronellyl acetate. Chem Biol Interact. 2013;203(3):573-579. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.0429 mL	25.2143 mL	50.4286 mL	126.0716 mL
	5 mM	1.0086 mL	5.0429 mL	10.0857 mL	25.2143 mL
	10 mM	0.5043 mL	2.5214 mL	5.0429 mL	12.6072 mL
	15 mM	0.3362 mL	1.6810 mL	3.3619 mL	8.4048 mL
	20 mM	0.2521 mL	1.2607 mL	2.5214 mL	6.3036 mL
	25 mM	0.2017 mL	1.0086 mL	2.0171 mL	5.0429 mL
	30 mM	0.1681 mL	0.8405 mL	1.6810 mL	4.2024 mL
	40 mM	0.1261 mL	0.6304 mL	1.2607 mL	3.1518 mL
	50 mM	0.1009 mL	0.5043 mL	1.0086 mL	2.5214 mL
	60 mM	0.0840 mL	0.4202 mL	0.8405 mL	2.1012 mL
	80 mM	0.0630 mL	0.3152 mL	0.6304 mL	1.5759 mL
	100 mM	0.0504 mL	0.2521 mL	0.5043 mL	1.2607 mL