Diethyl Malonate Aroma Chemical
CAS# 105-53-3
Fruity, Green, Apple, Winey, Ethereal
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Diethyl Malonate (DEM, CAS: 105-53-3) is the diethyl ester of malonic acid, serving as an incredibly important organic compound in various industries. At room temperature, this product is a clear, colorless to pale yellow, oily liquid with a sweet, characteristic fruity odor resembling apples. In nature, it can be found in some fruits such as strawberries, grapes, pineapples, and guavas. With the molecular formula C7H12O4, Diethyl Malonate is only slightly soluble in water but highly miscible with common organic solvents such as alcohol, ether, chloroform, and benzene.
The most prominent feature of Diethyl Malonate is its unique chemical structure with an active methylene group located between two carbonyl groups, making it an extremely versatile chemical intermediate. Approximately 54% of the global production of Diethyl Malonate is consumed directly to manufacture active pharmaceutical ingredients (APIs). This chemical is a core raw material for synthesizing barbiturate sedatives, vitamin B1, vitamin B6, antimalarial drugs (such as chloroquine), and non-steroidal anti-inflammatory drugs (such as phenylbutazone). Additionally, this chemical is used in the synthesis of agrochemicals (pesticides) and complex ring-forming reactions like the Knoevenagel condensation.
Thanks to its pleasant and natural aroma, Diethyl Malonate is widely applied in the flavor and cosmetics industries. In perfumery, this chemical contributes to fresh "sweet, fruity, green apple" notes. At the same time, it acts as a safe artificial flavoring agent used to enhance flavors in various foods, alcoholic beverages, and different types of wines.
Although it has low acute toxicity, users must strictly adhere to safety measures when handling Diethyl Malonate. This chemical can cause serious eye irritation, mild skin irritation, and may cause respiratory discomfort if inhaled at high vapor concentrations. During handling, it is necessary to equip full personal protective equipment including gloves, safety goggles, and protective clothing. Furthermore, it is a combustible liquid (with a flash point of around 93°C), so it must be kept away from high temperatures, sparks, and open flames. For storage, the product should be kept in tightly closed containers, placed in a dry, cool, and well-ventilated area (ideal temperature 15°C – 25°C), and protected from direct sunlight as well as strong oxidizing agents.
Diethyl Malonate is widely supplied on the market with very high purity, commonly ranging from 98% to 99.5% (reagent, analytical, or industrial production grades). To meet various scales from laboratory research to industrial production, this chemical is packaged in different volumes such as small bottles (100ml, 500ml, 1L, 2.5L) or large industrial drums ranging from 10kg to 25kg.
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Technical standards
Technical standards
Solubility @25˚C
Solubility @25˚C
| Solvent | Solubility (g/L) |
|---|---|
| ethanol | 62.97 |
| methanol | 96.57 |
| isopropanol | 49.72 |
| water | 4.58 |
| ethyl acetate | 146.44 |
| n-propanol | 40.48 |
| acetone | 258.06 |
| n-butanol | 36.74 |
| acetonitrile | 133.99 |
| DMF | 516.78 |
| toluene | 50.41 |
| isobutanol | 32.39 |
| 1,4-dioxane | 271.28 |
| methyl acetate | 171.24 |
| THF | 449.71 |
| 2-butanone | 116.19 |
| n-pentanol | 22.74 |
| sec-butanol | 36.31 |
| n-hexane | 6.05 |
| ethylene glycol | 42.07 |
| NMP | 1165.81 |
| cyclohexane | 15.76 |
| DMSO | 408.45 |
| n-butyl acetate | 56.05 |
| n-octanol | 17.61 |
| chloroform | 284.49 |
| n-propyl acetate | 55.81 |
| acetic acid | 313.95 |
| dichloromethane | 292.68 |
| cyclohexanone | 236.6 |
| propylene glycol | 39.5 |
| isopropyl acetate | 80.18 |
| DMAc | 657.79 |
| 2-ethoxyethanol | 71.95 |
| isopentanol | 33.49 |
| n-heptane | 3.79 |
| ethyl formate | 107.9 |
| 1,2-dichloroethane | 177.3 |
| n-hexanol | 20.88 |
| 2-methoxyethanol | 169.86 |
| isobutyl acetate | 36.08 |
| tetrachloromethane | 33.85 |
| n-pentyl acetate | 36.47 |
| transcutol | 190.92 |
| n-heptanol | 10.96 |
| ethylbenzene | 27.77 |
| MIBK | 55.41 |
| 2-propoxyethanol | 79.33 |
| tert-butanol | 75.77 |
| MTBE | 59.92 |
| 2-butoxyethanol | 34.01 |
| propionic acid | 134.05 |
| o-xylene | 50.25 |
| formic acid | 148.52 |
| diethyl ether | 55.6 |
| m-xylene | 40.17 |
| p-xylene | 42.21 |
| chlorobenzene | 105.45 |
| dimethyl carbonate | 121.68 |
| n-octane | 2.08 |
| formamide | 210.43 |
| cyclopentanone | 391.87 |
| 2-pentanone | 88.51 |
| anisole | 83.94 |
| cyclopentyl methyl ether | 148.94 |
| gamma-butyrolactone | 676.97 |
| 1-methoxy-2-propanol | 106.36 |
| pyridine | 205.15 |
| 3-pentanone | 84.15 |
| furfural | 539.25 |
| n-dodecane | 2.99 |
| diethylene glycol | 88.23 |
| diisopropyl ether | 19.26 |
| tert-amyl alcohol | 53.45 |
| acetylacetone | 229.03 |
| n-hexadecane | 3.52 |
| acetophenone | 105.79 |
| methyl propionate | 148.02 |
| isopentyl acetate | 55.04 |
| trichloroethylene | 379.46 |
| n-nonanol | 17.35 |
| cyclohexanol | 70.01 |
| benzyl alcohol | 56.11 |
| 2-ethylhexanol | 17.67 |
| isooctanol | 10.95 |
| dipropyl ether | 28.34 |
| 1,2-dichlorobenzene | 121.35 |
| ethyl lactate | 43.37 |
| propylene carbonate | 320.39 |
| n-methylformamide | 199.92 |
| 2-pentanol | 24.01 |
| n-pentane | 4.62 |
| 1-propoxy-2-propanol | 49.5 |
| 1-methoxy-2-propyl acetate | 98.23 |
| 2-(2-methoxypropoxy) propanol | 85.06 |
| mesitylene | 28.87 |
| ε-caprolactone | 249.58 |
| p-cymene | 20.58 |
| epichlorohydrin | 407.1 |
| 1,1,1-trichloroethane | 171.65 |
| 2-aminoethanol | 49.36 |
| morpholine-4-carbaldehyde | 560.72 |
| sulfolane | 690.85 |
| 2,2,4-trimethylpentane | 4.94 |
| 2-methyltetrahydrofuran | 230.71 |
| n-hexyl acetate | 60.54 |
| isooctane | 3.12 |
| 2-(2-butoxyethoxy)ethanol | 79.38 |
| sec-butyl acetate | 41.77 |
| tert-butyl acetate | 90.74 |
| decalin | 11.89 |
| glycerin | 83.13 |
| diglyme | 154.85 |
| acrylic acid | 166.89 |
| isopropyl myristate | 29.51 |
| n-butyric acid | 119.65 |
| acetyl acetate | 180.37 |
| di(2-ethylhexyl) phthalate | 42.78 |
| ethyl propionate | 72.71 |
| nitromethane | 647.05 |
| 1,2-diethoxyethane | 58.79 |
| benzonitrile | 100.07 |
| trioctyl phosphate | 23.46 |
| 1-bromopropane | 55.74 |
| gamma-valerolactone | 548.18 |
| n-decanol | 13.5 |
| triethyl phosphate | 49.49 |
| 4-methyl-2-pentanol | 16.69 |
| propionitrile | 63.59 |
| vinylene carbonate | 281.4 |
| 1,1,2-trichlorotrifluoroethane | 307.63 |
| DMS | 128.85 |
| cumene | 22.58 |
| 2-octanol | 9.53 |
| 2-hexanone | 47.04 |
| octyl acetate | 36.22 |
| limonene | 29.39 |
| 1,2-dimethoxyethane | 165.15 |
| ethyl orthosilicate | 42.06 |
| tributyl phosphate | 36.58 |
| diacetone alcohol | 93.48 |
| N,N-dimethylaniline | 70.13 |
| acrylonitrile | 112.43 |
| aniline | 81.27 |
| 1,3-propanediol | 66.44 |
| bromobenzene | 104.49 |
| dibromomethane | 156.66 |
| 1,1,2,2-tetrachloroethane | 283.15 |
| 2-methyl-cyclohexyl acetate | 61.41 |
| tetrabutyl urea | 55.47 |
| diisobutyl methanol | 14.84 |
| 2-phenylethanol | 46.07 |
| styrene | 36.47 |
| dioctyl adipate | 61.69 |
| dimethyl sulfate | 290.22 |
| ethyl butyrate | 56.58 |
| methyl lactate | 101.41 |
| butyl lactate | 33.93 |
| diethyl carbonate | 54.51 |
| propanediol butyl ether | 38.67 |
| triethyl orthoformate | 48.49 |
| p-tert-butyltoluene | 20.6 |
| methyl 4-tert-butylbenzoate | 92.39 |
| morpholine | 259.36 |
| tert-butylamine | 41.93 |
| n-dodecanol | 11.16 |
| dimethoxymethane | 186.28 |
| ethylene carbonate | 211.32 |
| cyrene | 128.1 |
| 2-ethoxyethyl acetate | 70.31 |
| 2-ethylhexyl acetate | 46.33 |
| 1,2,4-trichlorobenzene | 169.06 |
| 4-methylpyridine | 210.68 |
| dibutyl ether | 29.68 |
| 2,6-dimethyl-4-heptanol | 14.84 |
| DEF | 177.16 |
| dimethyl isosorbide | 205.72 |
| tetrachloroethylene | 174.33 |
| eugenol | 73.93 |
| triacetin | 119.8 |
| span 80 | 65.66 |
| 1,4-butanediol | 23.53 |
| 1,1-dichloroethane | 146.44 |
| 2-methyl-1-pentanol | 24.58 |
| methyl formate | 192.29 |
| 2-methyl-1-butanol | 31.73 |
| n-decane | 4.06 |
| butyronitrile | 56.75 |
| 3,7-dimethyl-1-octanol | 20.45 |
| 1-chlorooctane | 15.59 |
| 1-chlorotetradecane | 9.3 |
| n-nonane | 3.5 |
| undecane | 3.48 |
| tert-butylcyclohexane | 9.01 |
| cyclooctane | 5.07 |
| cyclopentanol | 101.5 |
| tetrahydropyran | 149.89 |
| tert-amyl methyl ether | 53.06 |
| 2,5,8-trioxanonane | 146.27 |
| 1-hexene | 15.86 |
| 2-isopropoxyethanol | 44.37 |
| 2,2,2-trifluoroethanol | 162.86 |
| methyl butyrate | 89.51 |
Scent© AI

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CAS NUMBER
105-53-3
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FAMILIES
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BRAND
Scent.vn
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EVAPORATION RATE
Moderately fast
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Odor impact
Medium est.
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FLASH POINT
80.41 ˚C est.
Olfactory Pyramid
Notes
| Fruity |
| Green |
| Apple |
| Winey |
| Ethereal |
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |
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Certificates of Quality
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Certificate of Analysis (COA)
Provides information on the physical and chemical properties of the product.Download -
IFRA Certificate of Conformity
Sets safety standards and guidelines for the product in manufacturing.Download -
Safety Data Sheet (SDS)
Provides important safety guidelines for transporting, storing, and using the product.Download