Acetyl Trioctyl Citrate

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  • Identifiers

    CAS number
    144-15-0

    Molecular formula
    C32H58O8

    SMILES
    CCCCC(CC)COC(=O)CC(CC(=O)OCC(CC)CCCC)(C(=O)OCC(CC)CCCC)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 47.95%
    Herbal 41.63%
    Oily 36.96%
    Odorless 31.57%
    Fatty 27.85%
    Lactonic 27.15%
    Woody 24.89%
    Peach 24.59%
    Mint 23.91%
    Fresh 23.79%

     

    Flavor
    Fruity 46.46%
    Waxy 38.69%
    Green 35.17%
    Oily 32.8%
    Mild 30.29%
    Herbal 23.78%
    Tropical 23.61%
    Wine 22.8%
    Fatty 22.75%
    Soapy 22.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.9

    pKa est.
    5.78 (weak acid)

    Molecular weight
    570.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 181.19 ˚C est.

  • Synonyms

    • Acetyl trioctyl citrate
    • RefChem:552468
    • 144-15-0
    • Tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
    • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tris(2-ethylhexyl) ester
    • O-Acetyl tris(2-ethylhexyl)citrate
    • 150CTM9A3J
    • tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
    • Acetyl tris(2-ethylhexyl) citrate
    • 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester
    • Citric acid, tris[2-ethylhexyl] ester, acetate
    • EINECS 205-617-0
    • CITRIC ACID, TRIS(2-ETHYLHEXYL) ESTER, ACETATE
    • UNII-150CTM9A3J
    • CITROFOL AHII
    • CITROFLEX A-8
    • EC 205-617-0
    • SCHEMBL455364
    • acetyl tri-2-ethylhexyl citrate
    • DTXSID80883333
    • Acetyl-tris-(2-ethylhexyl) citrate
    • 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, tris(2-ethylhexyl) ester
    • TRI(2-ETHYLHEXYL) CITRATE ACETATE
    • DB-250008
    • NS00002740
    • O-(Acetyl)-citronensaure-(2-athylhexyl)-ester
    • Q27251669
    • 1,2,3-Tris(2-ethylhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
    • Tris(2-ethylhexyl) 2-(acetyloxy)-1,2,3-propanetricarboxylate #
    • 144-15-0

  • Applications

    Acetyl Trioctyl Citrate, CAS 144-15-0, is a citrate ester with three octyl groups that is primarily used as a plasticizer for PVC and other polymers to enhance flexibility and processability. It is also used as a solvent and processing aid in coatings, paints, inks, and adhesives. In cosmetics and personal care, it functions as a solvent and plasticizer in formulations. Additionally, it may be used as a solvent or carrier for active ingredients in household cleaning products. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 164.18
    methanol 247.73
    isopropanol 135.25
    water 3.26
    ethyl acetate 1068.44
    n-propanol 223.64
    acetone 744.4
    n-butanol 174.21
    acetonitrile 366.51
    DMF 2264.59
    toluene 470.86
    isobutanol 193.57
    1,4-dioxane 600.45
    methyl acetate 1078.49
    THF 1390.47
    2-butanone 894.11
    n-pentanol 153.16
    sec-butanol 224.88
    n-hexane 28.94
    ethylene glycol 61.5
    NMP 6850.61
    cyclohexane 52.57
    DMSO 1414.91
    n-butyl acetate 428.63
    n-octanol 96.31
    chloroform 2732.37
    n-propyl acetate 584.4
    acetic acid 1261.74
    dichloromethane 3072.49
    cyclohexanone 1653.41
    propylene glycol 129.48
    isopropyl acetate 652.32
    DMAc 4420.33
    2-ethoxyethanol 435.77
    isopentanol 164.68
    n-heptane 15.69
    ethyl formate 493.28
    1,2-dichloroethane 1674.42
    n-hexanol 98.88
    2-methoxyethanol 595.59
    isobutyl acetate 330.22
    tetrachloromethane 504.65
    n-pentyl acetate 554.03
    transcutol 1325.21
    n-heptanol 94.02
    ethylbenzene 218.54
    MIBK 405.2
    2-propoxyethanol 390.71
    tert-butanol 168.61
    MTBE 299.14
    2-butoxyethanol 359.62
    propionic acid 834.85
    o-xylene 406.25
    formic acid 495.39
    diethyl ether 273.57
    m-xylene 309.31
    p-xylene 296.22
    chlorobenzene 837.21
    dimethyl carbonate 976.25
    n-octane 9.17
    formamide 821.79
    cyclopentanone 2228.08
    2-pentanone 704.0
    anisole 478.16
    cyclopentyl methyl ether 944.9
    gamma-butyrolactone 3464.8
    1-methoxy-2-propanol 595.09
    pyridine 1094.15
    3-pentanone 891.51
    furfural 2438.11
    n-dodecane 6.42
    diethylene glycol 233.56
    diisopropyl ether 110.05
    tert-amyl alcohol 284.85
    acetylacetone 1258.17
    n-hexadecane 7.57
    acetophenone 843.94
    methyl propionate 1301.54
    isopentyl acetate 386.95
    trichloroethylene 4496.45
    n-nonanol 101.75
    cyclohexanol 354.7
    benzyl alcohol 355.95
    2-ethylhexanol 91.49
    isooctanol 89.1
    dipropyl ether 169.98
    1,2-dichlorobenzene 1097.49
    ethyl lactate 378.25
    propylene carbonate 1888.74
    n-methylformamide 1066.63
    2-pentanol 157.64
    n-pentane 24.55
    1-propoxy-2-propanol 322.92
    1-methoxy-2-propyl acetate 717.38
    2-(2-methoxypropoxy) propanol 444.93
    mesitylene 168.09
    ε-caprolactone 2035.43
    p-cymene 113.2
    epichlorohydrin 2543.39
    1,1,1-trichloroethane 1915.2
    2-aminoethanol 167.53
    morpholine-4-carbaldehyde 2708.84
    sulfolane 4969.47
    2,2,4-trimethylpentane 31.77
    2-methyltetrahydrofuran 1099.81
    n-hexyl acetate 534.52
    isooctane 10.34
    2-(2-butoxyethoxy)ethanol 452.28
    sec-butyl acetate 479.59
    tert-butyl acetate 646.77
    decalin 46.2
    glycerin 263.34
    diglyme 1051.69
    acrylic acid 897.05
    isopropyl myristate 144.47
    n-butyric acid 895.69
    acetyl acetate 1115.83
    di(2-ethylhexyl) phthalate 218.3
    ethyl propionate 713.26
    nitromethane 2792.99
    1,2-diethoxyethane 401.09
    benzonitrile 421.57
    trioctyl phosphate 128.39
    1-bromopropane 578.34
    gamma-valerolactone 3073.57
    n-decanol 64.97
    triethyl phosphate 348.4
    4-methyl-2-pentanol 91.98
    propionitrile 300.16
    vinylene carbonate 1799.58
    1,1,2-trichlorotrifluoroethane 2420.62
    DMS 1026.09
    cumene 141.66
    2-octanol 77.85
    2-hexanone 427.45
    octyl acetate 233.74
    limonene 181.94
    1,2-dimethoxyethane 646.9
    ethyl orthosilicate 270.35
    tributyl phosphate 189.82
    diacetone alcohol 603.05
    N,N-dimethylaniline 414.06
    acrylonitrile 512.59
    aniline 541.47
    1,3-propanediol 218.88
    bromobenzene 1001.99
    dibromomethane 1492.6
    1,1,2,2-tetrachloroethane 3259.93
    2-methyl-cyclohexyl acetate 400.83
    tetrabutyl urea 281.49
    diisobutyl methanol 54.19
    2-phenylethanol 231.44
    styrene 284.61
    dioctyl adipate 316.03
    dimethyl sulfate 2543.1
    ethyl butyrate 437.23
    methyl lactate 770.61
    butyl lactate 446.81
    diethyl carbonate 351.51
    propanediol butyl ether 302.85
    triethyl orthoformate 326.82
    p-tert-butyltoluene 103.78
    methyl 4-tert-butylbenzoate 784.26
    morpholine 925.15
    tert-butylamine 89.58
    n-dodecanol 42.77
    dimethoxymethane 965.6
    ethylene carbonate 1306.36
    cyrene 712.53
    2-ethoxyethyl acetate 949.69
    2-ethylhexyl acetate 351.36
    1,2,4-trichlorobenzene 1674.55
    4-methylpyridine 1164.97
    dibutyl ether 146.79
    2,6-dimethyl-4-heptanol 54.19
    DEF 1468.33
    dimethyl isosorbide 1006.53
    tetrachloroethylene 2073.95
    eugenol 505.74
    triacetin 1125.21
    span 80 349.75
    1,4-butanediol 111.56
    1,1-dichloroethane 1403.35
    2-methyl-1-pentanol 171.67
    methyl formate 882.09
    2-methyl-1-butanol 234.93
    n-decane 13.05
    butyronitrile 233.26
    3,7-dimethyl-1-octanol 101.96
    1-chlorooctane 96.71
    1-chlorotetradecane 31.09
    n-nonane 11.87
    undecane 8.61
    tert-butylcyclohexane 33.25
    cyclooctane 22.39
    cyclopentanol 476.8
    tetrahydropyran 620.78
    tert-amyl methyl ether 418.39
    2,5,8-trioxanonane 630.82
    1-hexene 99.66
    2-isopropoxyethanol 323.19
    2,2,2-trifluoroethanol 914.0
    methyl butyrate 827.55

    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