Metabolism / Metabolites
Phenylacetyl acetate is metabolized to phenol in humans, pigs, rabbits, and peas. This study used ion chromatography to quantify the hydrolysis rate and investigated the substrate specificity of carboxylesterases (CEs) in different respiratory tissues of F344/N rats, New Zealand white rabbits, and Syrian hamsters. Thirteen esters were tested: valeric acid, phenylacetic acid, and β-butyrolactone for interspecies comparisons. The rat liver S9 enzyme showed the highest catalytic activity, while the activity of the rabbit and hamster tracheal and nasal S9 enzymes was comparable to or higher than that of the liver. Except for valeric acid, the activity of all other tested substrates was higher than that of the liver. The esterase activity of the lung S9 enzyme was lower than that of other tissues. Straight-chain alcohol esters were hydrolyzed the fastest, while tertiary esters were hydrolyzed the slowest. … The substrate specificity of phosphotriester hydrolases and serine esterases for carboxyl esters was determined. Serum was collected from 452 subjects (including healthy individuals and patients with hyperlipidemia). The correlation between enzyme activity, reversible EDTA inhibition, and progressive inhibition by organophosphorus compounds and carbamates was investigated. Hydrolysis of paraoxonium (POX), phenylacetic acid (PA), and β-naphthylacetic acid (BNA) was studied. Results showed that two paraoxonases hydrolyze POX, one EDTA-sensitive and the other EDTA-insensitive. The EDTA-sensitive paraoxonase also hydrolyzes β-naphthylacetic acid. Hydrolysis of EDTA-insensitive β-naphthylacetic acid and phenylacetic acid was identified as serine esterase-catalyzed. EDTA-sensitive hydrolysis of phenylacetic acid may be catalyzed by multiple enzymes, including aryl esterases and carboxyl esterases. Esterases in human liver microsomes hydrolyze phenylacetic acid (Vmax 57 ± 8 μmol/min/g tissue), while esterases in human hepatocyte solutes hydrolyze phenylacetic acid (Vmax 37 ± 2.9 μmol/min/g tissue). …Human plasma esterases hydrolyze phenylacetic acid (Vmax 250 ± 17 μmol/min/mL). ...The hydrolysis of phenylacetic acid involves aryl esterases in plasma, aryl esterases and carboxylesterases in liver microsomes, and carboxylesterases in hepatocyte solutes. ...
For more complete metabolite/metabolite data on phenylacetic acid (6 metabolites in total), please visit the HSDB record page.

Phenolic acetate is a clear, colorless liquid with a sweet solvent odor and is non-flammable. It can be used as a laboratory reagent and in the production of certain organic chemicals. Phenolic acetate is an acetate ester formed by the condensation of phenol and acetic acid. It belongs to the phenylacetate class and benzene compounds, and is functionally related to phenol. Phenolic acetate has been reported to exist in Arabidopsis thaliana and Euglena, and relevant data are available. Phenolic acetate is an aromatic fatty acid metabolite of phenylalanine and has potential antitumor activity. Phenolic acetate is naturally present in mammals and can induce tumor cell differentiation, inhibit their growth, and induce apoptosis. Its mechanism of action includes reducing protein isopreneization, activating peroxisome proliferation-activating receptors, inhibiting DNA methylation, and consuming glutamine. (NCI04) Phenylacetate is a metabolite found or produced in Saccharomyces cerevisiae.

C8H8O2

136.15

136.052

122-79-2

Phenyl acetate-d5;22705-26-6

31229

Colorless to light yellow liquid

1.073 g/mL at 25 °C(lit.)

196 °C(lit.)

195-196℃

170 °F

0.418mmHg at 25°C

n20/D 1.501(lit.)

1.611

0

2

2

10

114

0

CC(=O)OC1=CC=CC=C1

IPBVNPXQWQGGJP-UHFFFAOYSA-N

InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

phenyl acetate

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

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

DMSO: 250 mg/mL (1836.21 mM)

Solubility in Formulation 1: ≥ 2.08 mg/mL (15.28 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 20.8 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.

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Solubility in Formulation 2: ≥ 2.08 mg/mL (15.28 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 20.8 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.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (15.28 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 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

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 (Please use freshly prepared in vivo formulations for optimal results.)