Trioctyldodecyl Citrate

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  • Identifiers

    CAS number
    126121-35-5

    Molecular formula
    C66H128O7

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(CC(=O)OCC(CCCCCCCC)CCCCCCCCCC)(C(=O)OCC(CCCCCCCC)CCCCCCCCCC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 67.4%
    Fatty 51.94%
    Oily 47.19%
    Odorless 34.75%
    Balsamic 23.0%
    Woody 21.98%
    Creamy 19.66%
    Sweet 18.9%
    Milky 18.86%
    Amber 17.32%

     

    Flavor
    Bland 40.58%
    Mild 40.0%
    Waxy 39.85%
    Faint 31.83%
    Fatty 31.55%
    Oily 29.99%
    Odorless 27.34%
    Slightly waxy 23.72%
    Delicate 21.82%
    Bay oil 21.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    27.8

    pKa est.
    9.1 (weak base)

    Molecular weight
    1033.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    737°C

    Flash point

    • 267.51 ˚C est.

  • Synonyms

    • Trioctyldodecyl citrate
    • 126121-35-5
    • Pelemol TGC
    • Citmol 320
    • G-66 Guerbet ester
    • Lambent CE 2000
    • Siltech CE-2000
    • Tri-(2-octyldodecyl) citrate
    • 35X8CT063R
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(2-octyldodecyl) ester
    • Tris(2-octyldodecyl) citrate
    • DTXSID70925418
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tris(2-octyldodecyl) ester
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid, tris(2-octyldodecyl)ester
    • RefChem:899956
    • DTXCID001777696
    • TRIOCTYLDODECYL CITRATE [INCI]
    • 603-121-2
    • tris(2-octyldodecyl) 2-hydroxypropane-1,2,3-tricarboxylate
    • UNII-35X8CT063R
    • SCHEMBL16109120
    • BIEMOBPNIWQLMF-UHFFFAOYSA-N
    • MFCD13182358
    • SY426022
    • Q27256491
    • 126121-35-5

  • Applications

    Trioctyldodecyl Citrate (CAS 126121-35-5) is a citrate ester commonly used as a non-phthalate plasticizer for polymers and coatings (including PVC and other thermoplastics) to enhance flexibility and processability. It also serves as a solvent and carrier for fragrance components in perfumery and cosmetic formulations, and as an emollient/solvent in personal care products. In coatings, inks, and adhesives, it can function as a processing aid and lubricant to improve dispersion and film formation. As a bio-based citrate ester, it is typically considered an environmentally friendlier alternative to phthalate plasticizers, with usage remaining subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.35
    methanol 54.22
    isopropanol 58.42
    water 0.9
    ethyl acetate 629.23
    n-propanol 93.36
    acetone 363.74
    n-butanol 79.36
    acetonitrile 117.49
    DMF 767.39
    toluene 314.68
    isobutanol 83.43
    1,4-dioxane 391.09
    methyl acetate 472.75
    THF 996.29
    2-butanone 497.97
    n-pentanol 77.93
    sec-butanol 108.91
    n-hexane 34.69
    ethylene glycol 11.88
    NMP 2548.91
    cyclohexane 83.38
    DMSO 572.56
    n-butyl acetate 339.78
    n-octanol 85.12
    chloroform 1493.3
    n-propyl acetate 425.12
    acetic acid 373.97
    dichloromethane 1432.71
    cyclohexanone 1118.8
    propylene glycol 34.1
    isopropyl acetate 501.14
    DMAc 1770.21
    2-ethoxyethanol 189.63
    isopentanol 83.2
    n-heptane 26.32
    ethyl formate 253.02
    1,2-dichloroethane 779.26
    n-hexanol 62.8
    2-methoxyethanol 206.0
    isobutyl acetate 260.51
    tetrachloromethane 328.68
    n-pentyl acetate 563.92
    transcutol 758.41
    n-heptanol 79.47
    ethylbenzene 163.52
    MIBK 317.91
    2-propoxyethanol 201.1
    tert-butanol 91.14
    MTBE 232.5
    2-butoxyethanol 250.2
    propionic acid 312.42
    o-xylene 284.11
    formic acid 98.0
    diethyl ether 195.48
    m-xylene 226.15
    p-xylene 214.57
    chlorobenzene 519.99
    dimethyl carbonate 455.85
    n-octane 16.15
    formamide 179.82
    cyclopentanone 1507.74
    2-pentanone 449.55
    anisole 300.83
    cyclopentyl methyl ether 709.46
    gamma-butyrolactone 1882.54
    1-methoxy-2-propanol 264.98
    pyridine 635.57
    3-pentanone 545.92
    furfural 1142.93
    n-dodecane 8.49
    diethylene glycol 82.13
    diisopropyl ether 108.98
    tert-amyl alcohol 165.84
    acetylacetone 859.68
    n-hexadecane 10.35
    acetophenone 486.17
    methyl propionate 675.28
    isopentyl acetate 326.28
    trichloroethylene 2031.2
    n-nonanol 89.98
    cyclohexanol 222.84
    benzyl alcohol 174.02
    2-ethylhexanol 76.39
    isooctanol 85.0
    dipropyl ether 171.14
    1,2-dichlorobenzene 688.86
    ethyl lactate 235.9
    propylene carbonate 1091.34
    n-methylformamide 325.55
    2-pentanol 90.79
    n-pentane 26.98
    1-propoxy-2-propanol 225.8
    1-methoxy-2-propyl acetate 501.48
    2-(2-methoxypropoxy) propanol 255.4
    mesitylene 148.89
    ε-caprolactone 1256.4
    p-cymene 111.91
    epichlorohydrin 1340.89
    1,1,1-trichloroethane 1171.56
    2-aminoethanol 40.6
    morpholine-4-carbaldehyde 1117.91
    sulfolane 2882.89
    2,2,4-trimethylpentane 38.25
    2-methyltetrahydrofuran 796.36
    n-hexyl acetate 492.23
    isooctane 15.37
    2-(2-butoxyethoxy)ethanol 290.42
    sec-butyl acetate 378.15
    tert-butyl acetate 611.12
    decalin 55.18
    glycerin 65.83
    diglyme 707.57
    acrylic acid 290.89
    isopropyl myristate 145.65
    n-butyric acid 474.81
    acetyl acetate 632.15
    di(2-ethylhexyl) phthalate 152.36
    ethyl propionate 493.01
    nitromethane 905.54
    1,2-diethoxyethane 313.93
    benzonitrile 236.93
    trioctyl phosphate 105.64
    1-bromopropane 365.31
    gamma-valerolactone 1718.84
    n-decanol 52.97
    triethyl phosphate 266.04
    4-methyl-2-pentanol 66.78
    propionitrile 141.98
    vinylene carbonate 913.16
    1,1,2-trichlorotrifluoroethane 1055.72
    DMS 581.43
    cumene 111.06
    2-octanol 78.37
    2-hexanone 319.89
    octyl acetate 199.96
    limonene 188.13
    1,2-dimethoxyethane 355.94
    ethyl orthosilicate 236.13
    tributyl phosphate 150.63
    diacetone alcohol 444.41
    N,N-dimethylaniline 259.29
    acrylonitrile 202.37
    aniline 269.44
    1,3-propanediol 64.83
    bromobenzene 678.73
    dibromomethane 777.62
    1,1,2,2-tetrachloroethane 1753.68
    2-methyl-cyclohexyl acetate 326.72
    tetrabutyl urea 220.91
    diisobutyl methanol 58.77
    2-phenylethanol 133.57
    styrene 187.04
    dioctyl adipate 264.39
    dimethyl sulfate 1168.08
    ethyl butyrate 375.79
    methyl lactate 347.53
    butyl lactate 401.84
    diethyl carbonate 252.27
    propanediol butyl ether 200.43
    triethyl orthoformate 324.58
    p-tert-butyltoluene 111.98
    methyl 4-tert-butylbenzoate 590.41
    morpholine 517.26
    tert-butylamine 60.89
    n-dodecanol 34.47
    dimethoxymethane 448.69
    ethylene carbonate 747.83
    cyrene 381.97
    2-ethoxyethyl acetate 751.03
    2-ethylhexyl acetate 298.26
    1,2,4-trichlorobenzene 990.73
    4-methylpyridine 632.47
    dibutyl ether 164.21
    2,6-dimethyl-4-heptanol 58.77
    DEF 751.38
    dimethyl isosorbide 674.72
    tetrachloroethylene 1058.08
    eugenol 340.66
    triacetin 838.85
    span 80 251.23
    1,4-butanediol 36.5
    1,1-dichloroethane 726.36
    2-methyl-1-pentanol 94.51
    methyl formate 307.63
    2-methyl-1-butanol 108.54
    n-decane 20.31
    butyronitrile 123.28
    3,7-dimethyl-1-octanol 90.29
    1-chlorooctane 109.71
    1-chlorotetradecane 32.31
    n-nonane 19.05
    undecane 12.13
    tert-butylcyclohexane 41.22
    cyclooctane 38.94
    cyclopentanol 281.43
    tetrahydropyran 507.08
    tert-amyl methyl ether 316.39
    2,5,8-trioxanonane 384.08
    1-hexene 88.44
    2-isopropoxyethanol 167.99
    2,2,2-trifluoroethanol 281.24
    methyl butyrate 582.06

    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