1-Methoxy-2-propyl acetate
Based on 1 Customer Validation
1-Methoxy-2-propyl acetate is a volatile ester compound found in chocolate made from fermented cocoa beans. 1-Methoxy-2-propyl acetate serves as a hydrolysis substrate for esterases in blood, liver, lung, and nasal mucosa, and is rapidly hydrolyzed to propylene glycol monomethyl ether and acetic acid. 1-Methoxy-2-propyl acetate is proposed as a candidate urinary biomarker for dairy product intake. 1-Methoxy-2-propyl acetate can serve as a solvent and is applied in the electronic-grade semiconductor industry. 1-Methoxy-2-propyl acetate can be used in research related to nephropathy, hepatomegaly, and nasal irritation.
For research use only. We do not sell to patients.
- Purity : 99.97%
- CAS No.: 108-65-6
- Formula: C6H12O3
- Molecular Weight:132.16
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Storage:Pure form -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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Biological Activity
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Chemical Information
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Solvent & Solubility
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
1-Methoxy-2-propyl acetate (48-120 h) is a fermentation-dependent fruity aroma marker in dark chocolate produced from cocoa beans[2].
1-Methoxy-2-propyl acetate undergoes in vitro hydrolysis to form PM in rat and human blood and liver homogenates, with a half-life of 14-36 min[5].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
1-Methoxy-2-propyl acetate (300-3000 ppm; whole-body inhalation; 6 h/day; 9 days over 2 weeks) causes dose-related degeneration of the olfactory nasal epithelium in B6C3F1 mice at all tested concentrations, with minimal other systemic toxicity[4].
1-Methoxy-2-propyl acetate (2880 ppm; whole-body inhalation; single 6 h exposure) is rapidly hydrolyzed to PM in vivo following inhalation exposure, and most of the absorbed substance undergoes metabolic transformation rather than being excreted in its parent form[5].
1-Methoxy-2-propyl acetate (1150 mg/kg; oral gavage; single dose) is rapidly and almost completely hydrolyzed to PM after oral administration in rats[5].
1-Methoxy-2-propyl acetate (14.7-147 mg/kg; intravenous injection; single infusion) has an extremely short half-life in rats and is rapidly converted to PM after intravenous administration[5].
1-Methoxy-2-propyl acetate (100-1000 mg/kg; transdermal; single dose; 6-hour occlusive exposure) is absorbed through rat skin, exhibits low percutaneous penetration, and is systemically converted to PM, with no local skin hydrolysis detected[5].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Fischer 344 rats (male and female; 6 to 8 weeks of age)[4]
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Dosage:300 ppm; 1000 ppm; 3000 ppm
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Administration:whole-body inhalation; 6 hr/day; 9 days over 2 weeks
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Result:Caused no unscheduled deaths and no unusual clinical observations at all tested concentrations.
Produced no significant difference in body weights compared to controls at all tested concentrations.
Increased mean relative liver weight of female rats to 3.79 g/100 g body weight at 3000 ppm, compared to 3.59 g/100 g body weight in controls, with no associated gross or histopathologic liver changes.
Slightly lowered mean urinary specific gravity in the 3000 ppm group compared to controls.
Induced slightly reticulated kidneys in all male rats and 2 of 5 female rats at 3000 ppm; histologically, caused slight increased eosinophilic granularity of proximal convoluted tubules in all 5 male rats at 3000 ppm and in 1 of 5 male rats at 1000 ppm.
Caused slight-to-moderate degeneration of the olfactory epithelium in the nasal cavities in 3 of 5 males and 1 of 5 females at 3000 ppm; ciliated respiratory epithelium, trachea, and lungs were unaffected.
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Animal Model:B6C3F1 mice (male and female; 6 to 8 weeks of age)[4]
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Dosage:300 ppm; 1000 ppm; 3000 ppm
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Administration:whole-body inhalation; 6 hr/day; 9 days over 2 weeks
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Result:Caused no unscheduled deaths and no unusual clinical observations at all tested concentrations.
Produced no significant difference in body weights compared to controls at all tested concentrations.
Induced no adverse changes in absolute and relative organ weights at all tested concentrations.
Showed no adverse changes in hematology and clinical chemistry analyses at all tested concentrations.
Caused dose-related degeneration of the olfactory epithelium in all male and female mice in the 300, 1000, and 3000 ppm groups, with greater severity and extent at 3000 ppm; slight changes were present in the dorsomedial aspects of the ethmoid recess and anterior olfactory epithelium even at 300 ppm.
Induced focal areas of respiratory metaplasia of the olfactory epithelium in most animals at 1000 and 3000 ppm, and in 1 of 5 female mice at 300 ppm.
Produced acute inflammatory exudate in the nasal cavity lumen in some animals at the 1000 and 3000 ppm concentrations, with inflammation not being a prominent feature of the lesions.
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Animal Model:F344 (male; body weight 0.23 kg)[5]
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Dosage:2880 ppm
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Administration:whole-body inhalation; single 6 h exposure
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Result:Collected 20.2 mg equivalent PM acetate on charcoal in exhaled breath at 48 h post-exposure.
Hydrolyzed 348 mg equivalent PM acetate to PM at 48 h post-exposure.
Eliminated 9.4 mg PM in urine at 48 h post-exposure.
Metabolized 185 mg equivalent PM via CYP oxidation to propylene glycol at 48 h post-exposure.
Metabolized 39.6 mg equivalent PM to glucuronide and sulfate conjugates at 48 h post-exposure.
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Animal Model:F344 (male)[5]
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Dosage:1150 mg/kg
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Administration:oral gavage; single dose
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Result:Collected 5.9 mg equivalent PM acetate on charcoal in exhaled breath at 48 h post-dosing.
Hydrolyzed 267 mg equivalent PM acetate to PM at 48 h post-dosing.
Eliminated 5.98 mg PM in urine at 48 h post-dosing.
Metabolized 149 mg equivalent PM via CYP oxidation to propylene glycol at 48 h post-dosing.
Metabolized 25.3 mg equivalent PM to glucuronide and sulfate conjugates at 48 h post-dosing.
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Animal Model:F344 (male)[5]
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Dosage:14.7 mg/kg; 147 mg/kg
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Administration:i.v.; single infusion
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Result:Ranged in vivo half-life from 1.6 to 3.4 min.
Showed essentially the same systemic blood levels of PM at equimolar doses regardless of whether PM originated from propylene glycol monomethyl ether acetate or direct PM administration.
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Animal Model:F344 (male)[5]
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Dosage:100 mg/kg; 1000 mg/kg
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Administration:dermal; single 6 h occluded exposure
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Result:Showed an apparent skin permeability coefficient of 0.002 cm/h.
Exhibited similar PM blood kinetics following dermal administration of equal molar doses compared to direct PM dermal administration.
Showed no evidence for dermal hydrolysis.
Chemical Information
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CAS No. 108-65-6
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Appearance Liquid (Density: 0.96 g/cm3)
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Molecular Weight 132.16
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Formula C6H12O3
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Color Colorless to light yellow
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SMILES
CC(OC(C)=O)COC
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Synonyms
Propylene glycol monomethyl ether acetate
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Shipping
Room temperature in continental US; may vary elsewhere.
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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 : 200 mg/mL (1513.32 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Purity & Documentation
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Data Sheet (287 KB)
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SDS (466 KB)
- English - EN (466 KB)
- Français - FR (466 KB)
- Deutsch - DE (466 KB)
- Norwegian - NO (466 KB)
- Español - ES (466 KB)
- Swedish - SV (466 KB)
- Italian - IT (466 KB)
- Korean - KR (466 KB)
- Portuguese - PT (466 KB)
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Handling Instructions (2659 KB)
References
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.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 7.5666 mL | 37.8329 mL | 75.6659 mL | 189.1646 mL |
| 5 mM | 1.5133 mL | 7.5666 mL | 15.1332 mL | 37.8329 mL | |
| 10 mM | 0.7567 mL | 3.7833 mL | 7.5666 mL | 18.9165 mL | |
| 15 mM | 0.5044 mL | 2.5222 mL | 5.0444 mL | 12.6110 mL | |
| 20 mM | 0.3783 mL | 1.8916 mL | 3.7833 mL | 9.4582 mL | |
| 25 mM | 0.3027 mL | 1.5133 mL | 3.0266 mL | 7.5666 mL | |
| 30 mM | 0.2522 mL | 1.2611 mL | 2.5222 mL | 6.3055 mL | |
| 40 mM | 0.1892 mL | 0.9458 mL | 1.8916 mL | 4.7291 mL | |
| 50 mM | 0.1513 mL | 0.7567 mL | 1.5133 mL | 3.7833 mL | |
| 60 mM | 0.1261 mL | 0.6305 mL | 1.2611 mL | 3.1527 mL | |
| 80 mM | 0.0946 mL | 0.4729 mL | 0.9458 mL | 2.3646 mL | |
| 100 mM | 0.0757 mL | 0.3783 mL | 0.7567 mL | 1.8916 mL |
1-Methoxy-2-propyl acetate Related Classifications
HY-W133953 Related Classifications
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Keywords
- 1-Methoxy-2-propyl
- 108-65-6
- Propylene glycol monomethyl ether
- Biochemical Assay Reagents
- nasal irritation
- Colombian Arauca cocoa beans
- esterases
- Fischer 344 rats
- fermented cocoa bean-derived chocolate
- olfactory epithelium
- alpha2u-globulin mediated nephropathy
- hepatomegaly
- sedation
- B6C3F1 mice
- Inhibitor
- inhibitor
- inhibit