Diethyl diethylmalonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77-25-8

    Molecular formula
    C11H20O4

    SMILES
    CCC(CC)(C(=O)OCC)C(=O)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 89.85%
    Apple 62.6%
    Herbal 39.57%
    Winey 37.25%
    Tropical 29.52%
    Pineapple 29.19%
    Fresh 28.52%
    Berry 27.4%
    Ethereal 26.9%
    Green 26.18%

     

    Flavor
    Fruity 62.44%
    Bitter 51.8%
    Apple 35.82%
    Mild 35.68%
    Waxy 34.56%
    Wine 34.05%
    Fruit 32.58%
    Sweet 25.58%
    Grape 25.38%
    Apricot 25.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.76 (neutral)

    Molecular weight
    216.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    224°C

    Flash point

    • 100.13 ˚C est.

  • Synonyms

    • Diethyl diethylmalonate
    • 77-25-8
    • Diethyl 2,2-diethylmalonate
    • Propanedioic acid, diethyl-, diethyl ester
    • Diethylmalonic ester
    • Diethylmalonic acid diethyl ester
    • Diethylmalonate diethyl ester
    • 1,3-diethyl 2,2-diethylpropanedioate
    • diethyl 2,2-diethylpropanedioate
    • Diethyl 3,3-pentanedicarboxylate
    • Diethylmalonic acid, diethyl ester
    • UNII-CEH13944YQ
    • Malonic acid, diethyl-, diethyl ester
    • CEH13944YQ
    • NSC 8710
    • NSC-8710
    • EINECS 201-016-2
    • MFCD00009132
    • AI3-05640
    • DTXSID0058807
    • 2,2-Diethylpropanedioic acid 1,3-diethyl ester
    • DIETHYL DIETHYLMALONATE [MI]
    • Propanedioic acid, 2,2-diethyl-, 1,3-diethyl ester
    • Diethyl Diethylmalonate Diethyl
    • 2,2-Diethyl-propanedioic Acid 1,3-Diethyl Ester; Diethyl 2,2-Diethylmalonate; Diethyl 3,3-Pentanedicarboxylate; Diethylmalonic Acid Diethyl Ester; NSC 8710
    • Diathylmalonsaurediathylester
    • Diethyl diethylmalonate, 98%
    • Diethyl 2,2-diethylmalonate #
    • SCHEMBL1244565
    • DTXCID2047933
    • NSC8710
    • diethyl-malonic acid diethyl ester
    • 2,2-diethyl-malonicaciddiethylester
    • AC8306
    • AKOS009157408
    • 2,2-diethyl-malonic acid diethyl ester
    • AS-59032
    • SY033278
    • 2,2-diethyl-propanedioic acid diethyl ester
    • DB-056197
    • CS-0152609
    • D0867
    • NS00037899
    • EN300-85218
    • Malonic acid, diethyl-, diethyl ester (8CI)
    • Q1223262
    • 3,3-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (DIETHYL MALONATE,DIETHYL ESTER)
    • 3,3-PENTANEDICARBOXYLIC ACID,DIETHYL ESTER (DIETHYL MALONATE,DIETHYL ESTER)
    • 201-016-2

  • Applications

    Diethyl diethylmalonate is a versatile malonate ester widely used as a building block and intermediate in organic synthesis. In industry, it is commonly used to construct pharmaceutical and agrochemical molecules via alkylation at the active methylene and subsequent Knoevenagel or related condensations that generate 1,3-dicarbonyl motifs and heterocycles. It also serves as a precursor in fragrance and flavor chemistry, enabling synthesis of aroma-related compounds and intermediates. Additionally, it provides access to colorant precursors and can feed into polymer or coating syntheses as a starting material for more complex monomers or crosslinkable derivatives. These applications are common in regulated industrial settings and depend on formulation specifics of each product.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1257.03
    methanol 1289.08
    isopropanol 1514.71
    water 2.76
    ethyl acetate 2821.27
    n-propanol 1397.42
    acetone 3930.75
    n-butanol 1350.13
    acetonitrile 2830.89
    DMF 4709.46
    toluene 2424.38
    isobutanol 1321.54
    1,4-dioxane 4428.37
    methyl acetate 2908.94
    THF 5449.87
    2-butanone 3187.44
    n-pentanol 1009.04
    sec-butanol 1719.92
    n-hexane 462.19
    ethylene glycol 298.05
    NMP 5861.15
    cyclohexane 1615.43
    DMSO 2618.88
    n-butyl acetate 1634.61
    n-octanol 738.01
    chloroform 13061.09
    n-propyl acetate 1581.95
    acetic acid 2422.21
    dichloromethane 11256.78
    cyclohexanone 6629.52
    propylene glycol 441.99
    isopropyl acetate 1766.55
    DMAc 3578.54
    2-ethoxyethanol 1140.12
    isopentanol 1138.35
    n-heptane 258.05
    ethyl formate 1927.78
    1,2-dichloroethane 6388.92
    n-hexanol 965.34
    2-methoxyethanol 1838.85
    isobutyl acetate 904.98
    tetrachloromethane 2616.25
    n-pentyl acetate 1381.27
    transcutol 1210.82
    n-heptanol 566.15
    ethylbenzene 1187.19
    MIBK 1318.49
    2-propoxyethanol 1307.25
    tert-butanol 1815.88
    MTBE 1722.82
    2-butoxyethanol 741.63
    propionic acid 2085.43
    o-xylene 1473.95
    formic acid 595.62
    diethyl ether 2094.99
    m-xylene 1398.57
    p-xylene 1699.72
    chlorobenzene 3977.06
    dimethyl carbonate 1384.54
    n-octane 157.02
    formamide 1032.23
    cyclopentanone 6577.89
    2-pentanone 2586.36
    anisole 1639.55
    cyclopentyl methyl ether 3027.33
    gamma-butyrolactone 7404.8
    1-methoxy-2-propanol 1556.57
    pyridine 5615.76
    3-pentanone 2410.5
    furfural 4678.77
    n-dodecane 116.96
    diethylene glycol 771.89
    diisopropyl ether 693.07
    tert-amyl alcohol 1729.9
    acetylacetone 2768.08
    n-hexadecane 142.33
    acetophenone 1777.88
    methyl propionate 2663.87
    isopentyl acetate 1283.75
    trichloroethylene 13208.73
    n-nonanol 612.33
    cyclohexanol 3023.63
    benzyl alcohol 1425.07
    2-ethylhexanol 692.68
    isooctanol 474.68
    dipropyl ether 817.36
    1,2-dichlorobenzene 3504.36
    ethyl lactate 689.5
    propylene carbonate 3770.49
    n-methylformamide 2229.98
    2-pentanol 1147.82
    n-pentane 463.12
    1-propoxy-2-propanol 924.63
    1-methoxy-2-propyl acetate 1325.31
    2-(2-methoxypropoxy) propanol 578.52
    mesitylene 939.62
    ε-caprolactone 4579.41
    p-cymene 597.9
    epichlorohydrin 6103.01
    1,1,1-trichloroethane 7227.66
    2-aminoethanol 581.97
    morpholine-4-carbaldehyde 3554.88
    sulfolane 6879.07
    2,2,4-trimethylpentane 221.77
    2-methyltetrahydrofuran 4246.16
    n-hexyl acetate 1833.19
    isooctane 136.89
    2-(2-butoxyethoxy)ethanol 771.67
    sec-butyl acetate 1029.56
    tert-butyl acetate 1617.26
    decalin 496.45
    glycerin 548.54
    diglyme 1666.9
    acrylic acid 1863.1
    isopropyl myristate 598.2
    n-butyric acid 2448.25
    acetyl acetate 1980.12
    di(2-ethylhexyl) phthalate 522.52
    ethyl propionate 1677.7
    nitromethane 4344.94
    1,2-diethoxyethane 1014.01
    benzonitrile 2463.81
    trioctyl phosphate 451.04
    1-bromopropane 3340.86
    gamma-valerolactone 5703.32
    n-decanol 416.06
    triethyl phosphate 639.1
    4-methyl-2-pentanol 555.03
    propionitrile 2399.85
    vinylene carbonate 3613.66
    1,1,2-trichlorotrifluoroethane 3268.76
    DMS 1481.68
    cumene 677.98
    2-octanol 593.44
    2-hexanone 1481.16
    octyl acetate 807.86
    limonene 937.18
    1,2-dimethoxyethane 2380.23
    ethyl orthosilicate 562.96
    tributyl phosphate 535.5
    diacetone alcohol 1408.6
    N,N-dimethylaniline 1117.93
    acrylonitrile 2847.94
    aniline 2159.78
    1,3-propanediol 943.04
    bromobenzene 4930.71
    dibromomethane 7514.8
    1,1,2,2-tetrachloroethane 9917.88
    2-methyl-cyclohexyl acetate 1001.09
    tetrabutyl urea 715.56
    diisobutyl methanol 373.77
    2-phenylethanol 1160.94
    styrene 1498.19
    dioctyl adipate 803.04
    dimethyl sulfate 2036.74
    ethyl butyrate 1236.52
    methyl lactate 992.17
    butyl lactate 816.68
    diethyl carbonate 973.98
    propanediol butyl ether 671.84
    triethyl orthoformate 809.01
    p-tert-butyltoluene 596.2
    methyl 4-tert-butylbenzoate 1232.6
    morpholine 4336.62
    tert-butylamine 1260.09
    n-dodecanol 311.49
    dimethoxymethane 2489.04
    ethylene carbonate 3101.76
    cyrene 1095.94
    2-ethoxyethyl acetate 1245.16
    2-ethylhexyl acetate 1114.93
    1,2,4-trichlorobenzene 3865.41
    4-methylpyridine 4661.04
    dibutyl ether 853.38
    2,6-dimethyl-4-heptanol 373.77
    DEF 2904.54
    dimethyl isosorbide 1439.65
    tetrachloroethylene 6770.23
    eugenol 959.26
    triacetin 1222.32
    span 80 703.49
    1,4-butanediol 492.72
    1,1-dichloroethane 6853.58
    2-methyl-1-pentanol 895.96
    methyl formate 2140.41
    2-methyl-1-butanol 1255.17
    n-decane 212.7
    butyronitrile 2466.04
    3,7-dimethyl-1-octanol 583.26
    1-chlorooctane 824.48
    1-chlorotetradecane 296.78
    n-nonane 231.16
    undecane 151.71
    tert-butylcyclohexane 322.52
    cyclooctane 452.56
    cyclopentanol 3209.83
    tetrahydropyran 4898.13
    tert-amyl methyl ether 1368.61
    2,5,8-trioxanonane 998.45
    1-hexene 1110.15
    2-isopropoxyethanol 828.53
    2,2,2-trifluoroethanol 970.88
    methyl butyrate 2210.9

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
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