Diethyl Citrate

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  • Identifiers

    CAS number
    32074-56-9

    Molecular formula
    C10H16O7

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.07%
    Winey 58.13%
    Sweet 50.02%
    Caramellic 45.65%
    Buttery 33.72%
    Sour 32.4%
    Odorless 28.48%
    Creamy 28.32%
    Ethereal 27.95%
    Fatty 27.86%

     

    Flavor
    Fruity 53.81%
    Odorless 48.47%
    Mild 43.15%
    Bitter 39.63%
    Very mild 27.67%
    Wine 25.15%
    Bland 25.08%
    Yeast 23.86%
    Grape 23.84%
    Marshmallow 23.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    5.32 (weak acid)

    Molecular weight
    248.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 160.36 ˚C est.

  • Synonyms

    • Diethyl citrate
    • 32074-56-9
    • 3N6TP86M5J
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, diethyl ester
    • RefChem:587204
    • 250-914-0
    • 639-031-5
    • 1,2-Diethyl citrate
    • Citric Acid 1,2-Diethyl Ester
    • 19958-02-2
    • Asym-Diethyl Citrate
    • Citric acid, 1,2-diethyl ester
    • 1,2-Diethyl citrate, (+/-)-
    • 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
    • 5-ethoxy-3-(ethoxycarbonyl)-3-hydroxy-5-oxopentanoic acid
    • 803HW347BD
    • 3-Hydroxy-3,4-bis(ethoxycarbonyl)butanoic Acid
    • Citric acid, diethyl ester
    • UNII-3N6TP86M5J
    • Diethyl hydrogen 2-hydroxypropane-1,2,3-tricarboxylate
    • UNII-803HW347BD
    • 2-Hydroxy-1,2,3-propanetricarboxylic Acid 1,2-Diethyl Ester; 3-Hydroxy-3,4-bis(ethoxycarbonyl)butanoic Acid; Asym-Diethyl Citrate;
    • EINECS 250-914-0
    • SCHEMBL73473
    • CHEMBL462558
    • DTXSID00953946
    • 2-Hydroxy-1,2,3-propanetricarboxylic Acid 1,2-Diethyl Ester
    • NS00058684
    • 3-hydroxy-3, 4-bis(ethoxycarbonyl)butanoic acid
    • 3-hydroxy-3,4-bis (ethoxycarbonyl)butanoic acid
    • Q27269105
    • 32074-56-9

  • Applications

    Diethyl Citrate (CAS 32074-56-9) is a citrate ester commonly used as a low-toxicity plasticizer for a range of polymers, including PVC, nitrocellulose and cellulose derivatives, improving flexibility and processability. It also serves as a solvent and processing aid in coatings, inks and adhesives, enabling smoother formulation and film formation. In perfumery and fragrances, it functions as a solvent and carrier for aroma compounds, aiding formulation stability and volatility control. In cosmetics and personal care, it may be used as a solvent, carrier for active ingredients and fragrances, and as a compatibility aid in fragrance-containing products. Additionally, it is employed as a polar solvent in cleaning formulations, helping to dissolve certain resinous or oily components and support formulation balance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 178.05
    methanol 405.01
    isopropanol 90.87
    water 11.62
    ethyl acetate 84.7
    n-propanol 102.6
    acetone 275.46
    n-butanol 64.53
    acetonitrile 85.63
    DMF 2675.51
    toluene 17.44
    isobutanol 58.46
    1,4-dioxane 120.96
    methyl acetate 116.07
    THF 378.19
    2-butanone 129.53
    n-pentanol 40.92
    sec-butanol 66.92
    n-hexane 2.71
    ethylene glycol 117.3
    NMP 2250.39
    cyclohexane 1.65
    DMSO 2855.69
    n-butyl acetate 46.57
    n-octanol 16.23
    chloroform 66.5
    n-propyl acetate 58.02
    acetic acid 442.39
    dichloromethane 126.56
    cyclohexanone 200.24
    propylene glycol 125.62
    isopropyl acetate 49.38
    DMAc 1793.19
    2-ethoxyethanol 203.34
    isopentanol 50.46
    n-heptane 1.17
    ethyl formate 126.25
    1,2-dichloroethane 118.15
    n-hexanol 25.42
    2-methoxyethanol 457.26
    isobutyl acetate 23.96
    tetrachloromethane 6.67
    n-pentyl acetate 24.57
    transcutol 280.28
    n-heptanol 12.46
    ethylbenzene 18.82
    MIBK 55.79
    2-propoxyethanol 127.47
    tert-butanol 114.36
    MTBE 48.91
    2-butoxyethanol 47.25
    propionic acid 188.43
    o-xylene 29.88
    formic acid 604.23
    diethyl ether 39.73
    m-xylene 18.19
    p-xylene 20.18
    chlorobenzene 30.77
    dimethyl carbonate 169.99
    n-octane 0.6
    formamide 910.74
    cyclopentanone 419.2
    2-pentanone 98.81
    anisole 86.2
    cyclopentyl methyl ether 125.92
    gamma-butyrolactone 742.65
    1-methoxy-2-propanol 291.43
    pyridine 136.65
    3-pentanone 79.82
    furfural 601.42
    n-dodecane 0.64
    diethylene glycol 153.88
    diisopropyl ether 9.62
    tert-amyl alcohol 97.16
    acetylacetone 178.55
    n-hexadecane 0.73
    acetophenone 127.56
    methyl propionate 153.83
    isopentyl acetate 40.15
    trichloroethylene 189.41
    n-nonanol 15.15
    cyclohexanol 58.1
    benzyl alcohol 88.63
    2-ethylhexanol 17.26
    isooctanol 11.0
    dipropyl ether 22.87
    1,2-dichlorobenzene 46.59
    ethyl lactate 76.0
    propylene carbonate 303.96
    n-methylformamide 873.55
    2-pentanol 35.11
    n-pentane 1.99
    1-propoxy-2-propanol 76.32
    1-methoxy-2-propyl acetate 94.11
    2-(2-methoxypropoxy) propanol 104.28
    mesitylene 11.36
    ε-caprolactone 238.67
    p-cymene 11.22
    epichlorohydrin 457.87
    1,1,1-trichloroethane 37.44
    2-aminoethanol 182.91
    morpholine-4-carbaldehyde 1067.51
    sulfolane 1455.33
    2,2,4-trimethylpentane 1.95
    2-methyltetrahydrofuran 171.07
    n-hexyl acetate 38.86
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 93.15
    sec-butyl acetate 33.62
    tert-butyl acetate 67.18
    decalin 2.97
    glycerin 257.2
    diglyme 206.83
    acrylic acid 250.87
    isopropyl myristate 15.1
    n-butyric acid 152.71
    acetyl acetate 69.8
    di(2-ethylhexyl) phthalate 28.68
    ethyl propionate 70.44
    nitromethane 990.02
    1,2-diethoxyethane 44.06
    benzonitrile 63.9
    trioctyl phosphate 18.34
    1-bromopropane 31.61
    gamma-valerolactone 689.33
    n-decanol 10.63
    triethyl phosphate 44.27
    4-methyl-2-pentanol 19.87
    propionitrile 58.75
    vinylene carbonate 271.58
    1,1,2-trichlorotrifluoroethane 449.37
    DMS 88.95
    cumene 15.65
    2-octanol 8.67
    2-hexanone 55.09
    octyl acetate 20.62
    limonene 16.47
    1,2-dimethoxyethane 299.77
    ethyl orthosilicate 33.5
    tributyl phosphate 28.16
    diacetone alcohol 136.93
    N,N-dimethylaniline 101.31
    acrylonitrile 135.82
    aniline 69.27
    1,3-propanediol 161.72
    bromobenzene 24.92
    dibromomethane 62.15
    1,1,2,2-tetrachloroethane 154.62
    2-methyl-cyclohexyl acetate 45.93
    tetrabutyl urea 51.78
    diisobutyl methanol 10.74
    2-phenylethanol 50.7
    styrene 21.71
    dioctyl adipate 38.0
    dimethyl sulfate 568.14
    ethyl butyrate 48.39
    methyl lactate 202.14
    butyl lactate 43.5
    diethyl carbonate 39.8
    propanediol butyl ether 69.59
    triethyl orthoformate 39.51
    p-tert-butyltoluene 10.64
    methyl 4-tert-butylbenzoate 92.42
    morpholine 253.48
    tert-butylamine 40.39
    n-dodecanol 7.52
    dimethoxymethane 470.62
    ethylene carbonate 175.42
    cyrene 217.46
    2-ethoxyethyl acetate 48.93
    2-ethylhexyl acetate 30.69
    1,2,4-trichlorobenzene 69.07
    4-methylpyridine 171.06
    dibutyl ether 15.14
    2,6-dimethyl-4-heptanol 10.74
    DEF 311.59
    dimethyl isosorbide 214.39
    tetrachloroethylene 84.54
    eugenol 75.98
    triacetin 92.91
    span 80 65.18
    1,4-butanediol 64.18
    1,1-dichloroethane 46.65
    2-methyl-1-pentanol 38.84
    methyl formate 587.69
    2-methyl-1-butanol 55.58
    n-decane 1.11
    butyronitrile 45.62
    3,7-dimethyl-1-octanol 17.99
    1-chlorooctane 7.09
    1-chlorotetradecane 2.76
    n-nonane 0.95
    undecane 0.83
    tert-butylcyclohexane 2.44
    cyclooctane 0.93
    cyclopentanol 96.08
    tetrahydropyran 69.59
    tert-amyl methyl ether 57.41
    2,5,8-trioxanonane 155.78
    1-hexene 10.86
    2-isopropoxyethanol 90.73
    2,2,2-trifluoroethanol 209.95
    methyl butyrate 108.59

    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