Acetyltriethyl citrate

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  • Identifiers

    CAS number
    77-89-4

    Molecular formula
    C14H22O8

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 61.88%
    Winey 58.95%
    Apple 41.21%
    Odorless 38.49%
    Sweet 37.91%
    Herbal 33.65%
    Caramellic 28.85%
    Ethereal 28.45%
    Oily 27.42%
    Buttery 23.41%

     

    Flavor
    Fruity 74.19%
    Bitter 66.29%
    Mild 49.02%
    Wine 38.4%
    Apple 29.95%
    Odorless 29.75%
    Grape 29.73%
    Green 28.17%
    Fruit 27.97%
    Tropical 25.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    5.34 (weak acid)

    Molecular weight
    318.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 147.24 ˚C est.

  • Synonyms

    • 77-89-4
    • Acetyl triethyl citrate
    • Acetyltriethyl citrate
    • Triethyl 2-acetoxypropane-1,2,3-tricarboxylate
    • Triethyl O-acetylcitrate
    • Triethyl acetylcitrate
    • Citroflex A 2
    • ATEC
    • Triethyl 2-acetylcitrate
    • Citric acid, acetyl triethyl ester
    • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
    • O-Acetylcitric acid triethyl ester
    • Triethyl citrate, acetate
    • Acetyltriethyl citrate [NF]
    • NSC 3887
    • NSC-3887
    • CITRIC ACID, TRIETHYL ESTER, ACETATE
    • EINECS 201-066-5
    • Triethylester kyseliny acetylcitronove
    • BRN 1804947
    • 5WBR36T90E
    • AI3-03574
    • Triethyl citrate acetate
    • Triethylester kyseliny acetylcitronove [Czech]
    • Tricarballylic acid, beta-acetoxytributyl ester
    • Triethyl 2-acetoxy-1,2,3-propanetricarboxylate
    • triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
    • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester
    • DTXSID5044576
    • 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester
    • 3-03-00-01105 (Beilstein Handbook Reference)
    • Triethyl acetyl citrate
    • ACETYLTRIETHYL CITRATE [MART.]
    • ACETYLTRIETHYL CITRATE [USP-RS]
    • CITRIC ACID, O-ACETYLTRIETHYL ESTER
    • Tricarballylic acid, .beta.-acetoxytributyl ester
    • acetyltriethylcitrate
    • ACETYLTRIETHYL CITRATE (MART.)
    • ACETYLTRIETHYL CITRATE (USP-RS)
    • UNII-5WBR36T90E
    • Citroflex A-2
    • Uniplex 82
    • SCHEMBL42702
    • CHEMBL2105928
    • DTXCID3024576
    • Triethyl 2-acetylcitrate, 99%
    • NSC3887
    • Tox21_301483
    • MFCD00049378
    • WLN: 2OV1XVO2&OV1&1VO2
    • ACETYL TRIETHYL CITRATE [INCI]
    • AKOS024464792
    • CS-W009904
    • CAS-77-89-4
    • NCGC00256002-01
    • LS-14339
    • DB-056267
    • A0086
    • NS00003612
    • Triethyl 2-acetoxy-1,3-propanetricarboxylate
    • E75747
    • SR-01000944782
    • SR-01000944782-1
    • Q27262956
    • Triethyl 2-(acetyloxy)-1,2,3-propanetricarboxylate #
    • 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester
    • 1,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
    • Acetyltriethyl citrate, United States Pharmacopeia (USP) Reference Standard
    • Triethyl 2-acetylcitrate, Pharmaceutical Secondary Standard; Certified Reference Material

  • Applications

    Acetyltriethyl citrate (CAS 77-89-4) is a citrate ester commonly used as a plasticizer to improve flexibility and processability of polymers and coatings, including PVC and cellulose derivatives. It also serves as a processing aid and solvent in coatings, inks, and adhesive systems, helping film formation and formulation stability. In cosmetic and personal care formulations, it functions as a solvent and emollient/humectant component, contributing to texture and solubility of active ingredients. In perfumery and fragrance applications, it is used as a solvent and carrier for fragrance ingredients, providing moderate volatility and compatibility with other excipients. Use and restrictions are formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 263.62
    methanol 499.97
    isopropanol 151.04
    water 9.48
    ethyl acetate 1066.75
    n-propanol 189.84
    acetone 1613.99
    n-butanol 124.21
    acetonitrile 967.2
    DMF 6675.61
    toluene 354.78
    isobutanol 129.8
    1,4-dioxane 857.73
    methyl acetate 1413.59
    THF 1632.82
    2-butanone 931.21
    n-pentanol 85.78
    sec-butanol 144.93
    n-hexane 15.29
    ethylene glycol 143.67
    NMP 11456.9
    cyclohexane 17.42
    DMSO 5701.29
    n-butyl acetate 316.58
    n-octanol 33.36
    chloroform 1822.2
    n-propyl acetate 495.63
    acetic acid 2171.74
    dichloromethane 2680.01
    cyclohexanone 1400.48
    propylene glycol 144.23
    isopropyl acetate 503.05
    DMAc 7330.43
    2-ethoxyethanol 483.0
    isopentanol 100.21
    n-heptane 5.34
    ethyl formate 896.31
    1,2-dichloroethane 1651.09
    n-hexanol 47.41
    2-methoxyethanol 978.38
    isobutyl acetate 207.58
    tetrachloromethane 151.2
    n-pentyl acetate 156.73
    transcutol 787.84
    n-heptanol 25.01
    ethylbenzene 202.71
    MIBK 263.49
    2-propoxyethanol 337.05
    tert-butanol 179.34
    MTBE 232.95
    2-butoxyethanol 132.39
    propionic acid 866.43
    o-xylene 317.76
    formic acid 1637.0
    diethyl ether 260.85
    m-xylene 198.89
    p-xylene 277.89
    chlorobenzene 764.21
    dimethyl carbonate 1504.75
    n-octane 2.42
    formamide 3069.28
    cyclopentanone 2566.26
    2-pentanone 610.72
    anisole 722.57
    cyclopentyl methyl ether 695.11
    gamma-butyrolactone 5250.78
    1-methoxy-2-propanol 625.64
    pyridine 1541.25
    3-pentanone 678.94
    furfural 4961.07
    n-dodecane 2.29
    diethylene glycol 310.45
    diisopropyl ether 62.19
    tert-amyl alcohol 194.2
    acetylacetone 1552.39
    n-hexadecane 2.79
    acetophenone 1093.46
    methyl propionate 1341.48
    isopentyl acetate 244.67
    trichloroethylene 4085.23
    n-nonanol 34.92
    cyclohexanol 190.47
    benzyl alcohol 464.74
    2-ethylhexanol 45.13
    isooctanol 23.18
    dipropyl ether 118.11
    1,2-dichlorobenzene 982.78
    ethyl lactate 356.52
    propylene carbonate 2441.25
    n-methylformamide 2793.72
    2-pentanol 80.66
    n-pentane 10.8
    1-propoxy-2-propanol 213.07
    1-methoxy-2-propyl acetate 633.34
    2-(2-methoxypropoxy) propanol 323.25
    mesitylene 98.01
    ε-caprolactone 1694.5
    p-cymene 76.59
    epichlorohydrin 3419.15
    1,1,1-trichloroethane 1084.73
    2-aminoethanol 234.79
    morpholine-4-carbaldehyde 5277.39
    sulfolane 8126.53
    2,2,4-trimethylpentane 9.9
    2-methyltetrahydrofuran 981.38
    n-hexyl acetate 205.49
    isooctane 3.4
    2-(2-butoxyethoxy)ethanol 253.73
    sec-butyl acetate 305.48
    tert-butyl acetate 436.66
    decalin 23.73
    glycerin 374.79
    diglyme 691.73
    acrylic acid 1290.01
    isopropyl myristate 74.57
    n-butyric acid 741.58
    acetyl acetate 1178.17
    di(2-ethylhexyl) phthalate 140.3
    ethyl propionate 682.61
    nitromethane 8063.98
    1,2-diethoxyethane 241.15
    benzonitrile 652.2
    trioctyl phosphate 63.49
    1-bromopropane 402.24
    gamma-valerolactone 4421.13
    n-decanol 24.64
    triethyl phosphate 281.08
    4-methyl-2-pentanol 41.45
    propionitrile 450.08
    vinylene carbonate 2593.68
    1,1,2-trichlorotrifluoroethane 2839.71
    DMS 893.8
    cumene 122.08
    2-octanol 18.37
    2-hexanone 317.95
    octyl acetate 108.19
    limonene 100.39
    1,2-dimethoxyethane 1019.52
    ethyl orthosilicate 196.9
    tributyl phosphate 124.58
    diacetone alcohol 481.26
    N,N-dimethylaniline 629.03
    acrylonitrile 1101.13
    aniline 630.18
    1,3-propanediol 262.15
    bromobenzene 768.87
    dibromomethane 1177.74
    1,1,2,2-tetrachloroethane 2467.12
    2-methyl-cyclohexyl acetate 280.91
    tetrabutyl urea 211.05
    diisobutyl methanol 27.35
    2-phenylethanol 220.46
    styrene 305.55
    dioctyl adipate 209.87
    dimethyl sulfate 4468.76
    ethyl butyrate 375.73
    methyl lactate 878.01
    butyl lactate 179.2
    diethyl carbonate 341.43
    propanediol butyl ether 144.77
    triethyl orthoformate 242.6
    p-tert-butyltoluene 66.13
    methyl 4-tert-butylbenzoate 521.11
    morpholine 1204.57
    tert-butylamine 83.23
    n-dodecanol 18.29
    dimethoxymethane 1619.25
    ethylene carbonate 1635.37
    cyrene 889.53
    2-ethoxyethyl acetate 384.84
    2-ethylhexyl acetate 214.89
    1,2,4-trichlorobenzene 1388.54
    4-methylpyridine 1845.14
    dibutyl ether 71.27
    2,6-dimethyl-4-heptanol 27.35
    DEF 1653.19
    dimethyl isosorbide 914.23
    tetrachloroethylene 1415.25
    eugenol 347.45
    triacetin 728.04
    span 80 203.68
    1,4-butanediol 103.55
    1,1-dichloroethane 1009.77
    2-methyl-1-pentanol 95.24
    methyl formate 2457.52
    2-methyl-1-butanol 127.92
    n-decane 3.86
    butyronitrile 292.9
    3,7-dimethyl-1-octanol 42.22
    1-chlorooctane 31.01
    1-chlorotetradecane 13.13
    n-nonane 3.46
    undecane 2.89
    tert-butylcyclohexane 15.09
    cyclooctane 6.38
    cyclopentanol 311.18
    tetrahydropyran 487.54
    tert-amyl methyl ether 254.9
    2,5,8-trioxanonane 508.48
    1-hexene 65.92
    2-isopropoxyethanol 253.18
    2,2,2-trifluoroethanol 1353.08
    methyl butyrate 831.78

    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