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5-Methoxy-5-oxopentanoic acid 1501-27-5

5-Methoxy-5-oxopentanoic acid 1501-27-5

CAS No.: 1501-27-5

5-Methoxy-5-oxopentanoic acid is an endogenously produced metabolite.
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5-Methoxy-5-oxopentanoic acid is an endogenously produced metabolite.

Physicochemical Properties


Molecular Formula C6H10O4
Molecular Weight 146.14
Exact Mass 146.057
CAS # 1501-27-5
PubChem CID 73917
Appearance Colorless to light yellow liquid
Density 1.169
Boiling Point 150-151 ºC
Melting Point 150 - 151 °C
Flash Point 110 ºC
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.438
LogP 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Heavy Atom Count 10
Complexity 130
Defined Atom Stereocenter Count 0
SMILES

O(C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])C(=O)O[H])=O

InChi Key IBMRTYCHDPMBFN-UHFFFAOYSA-N
InChi Code

InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8)
Chemical Name

5-methoxy-5-oxopentanoic acid
HS Tariff Code 2934.99.9001
Storage

Powder-20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity


Additional Infomation Monomethyl glutaric acid is a dicarboxylic acid monoester that the monomethyl ester of glutaric acid. It has a role as a human urinary metabolite. It is functionally related to a glutaric acid.

Solubility Data


Solubility (In Vitro) DMSO: 100 mg/mL (684.28 mM)
Solubility (In Vivo) Solubility in Formulation 1: ≥ 2.5 mg/mL (17.11 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (17.11 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

Solubility in Formulation 3: ≥ 2.5 mg/mL (17.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 6.8428 mL 34.2138 mL 68.4275 mL
5 mM 1.3686 mL 6.8428 mL 13.6855 mL
10 mM 0.6843 mL 3.4214 mL 6.8428 mL
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.