Isodecyl Citrate

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  • Identifiers

    CAS number
    90605-17-7

    Molecular formula
    C16H28O7

    SMILES
    CC(C)CCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.52%
    Fatty 35.42%
    Lactonic 31.25%
    Milky 30.55%
    Buttery 28.19%
    Oily 26.31%
    Peach 25.3%
    Creamy 24.91%
    Waxy 23.11%
    Sour 22.58%

     

    Flavor
    Odorless 43.72%
    Mild 33.27%
    Fruity 32.29%
    Bland 28.89%
    Fatty 27.98%
    Waxy 27.52%
    Sour 24.85%
    Cheese 24.68%
    Oily 23.48%
    Bay oil 21.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    4.2 (weak acid)

    Molecular weight
    332.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    437°C

    Flash point

    • 212.19 ˚C est.

  • Synonyms

    • Isodecyl citrate
    • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, isodecyl ester
    • 1BEW39HVNX
    • EINECS 292-416-6
    • 2-Hydroxy-1,2,3-propanetricarboxylic acid, isodecyl ester
    • RefChem:791840
    • ISODECYL CITRATE [INCI]
    • TRIOXENE LV
    • 90605-17-7
    • UNII-1BEW39HVNX
    • isodecyl 1-citrate
    • 2-hydroxy-2-[2-(8-methylnonoxy)-2-oxoethyl]butanedioic acid
    • SCHEMBL599405
    • IF54437VFU
    • BYZJEUMAMGGQNP-UHFFFAOYSA-N
    • QDA60517
    • Q27280696
    • 90605-17-7

  • Applications

    Isodecyl Citrate (CAS 90605-17-7) is widely used as a non-phthalate plasticizer for PVC and other polymers, providing flexibility with relatively low volatility. It also serves as a solvent and processing aid in coatings, inks, and adhesive formulations, enabling uniform dispersion and film formation. In cosmetics and personal care, it acts as an emollient and solvent, improving texture and fragrance delivery. It may function as a surfactant or emulsifier in household cleaning products, fabric care, and other formulations, helping stabilize oil-in-water systems. In perfumery and fragrance applications, it may serve as a carrier or fixative for aroma compounds, supporting slower release. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 169.47
    methanol 399.57
    isopropanol 77.21
    water 0.45
    ethyl acetate 34.39
    n-propanol 102.53
    acetone 101.19
    n-butanol 63.47
    acetonitrile 17.51
    DMF 945.3
    toluene 6.57
    isobutanol 53.71
    1,4-dioxane 62.24
    methyl acetate 40.23
    THF 306.26
    2-butanone 64.57
    n-pentanol 50.87
    sec-butanol 60.71
    n-hexane 0.86
    ethylene glycol 52.46
    NMP 623.82
    cyclohexane 0.84
    DMSO 1077.25
    n-butyl acetate 22.97
    n-octanol 15.91
    chloroform 25.23
    n-propyl acetate 29.57
    acetic acid 169.76
    dichloromethane 28.71
    cyclohexanone 101.94
    propylene glycol 112.03
    isopropyl acetate 32.68
    DMAc 859.89
    2-ethoxyethanol 215.27
    isopentanol 54.88
    n-heptane 0.44
    ethyl formate 32.2
    1,2-dichloroethane 30.94
    n-hexanol 26.64
    2-methoxyethanol 385.45
    isobutyl acetate 18.72
    tetrachloromethane 3.98
    n-pentyl acetate 20.19
    transcutol 300.11
    n-heptanol 17.28
    ethylbenzene 6.59
    MIBK 49.72
    2-propoxyethanol 143.95
    tert-butanol 111.37
    MTBE 38.04
    2-butoxyethanol 72.73
    propionic acid 75.41
    o-xylene 9.76
    formic acid 160.11
    diethyl ether 19.19
    m-xylene 8.91
    p-xylene 7.71
    chlorobenzene 7.46
    dimethyl carbonate 39.64
    n-octane 0.39
    formamide 230.16
    cyclopentanone 174.59
    2-pentanone 57.6
    anisole 29.61
    cyclopentyl methyl ether 65.56
    gamma-butyrolactone 199.54
    1-methoxy-2-propanol 292.35
    pyridine 39.17
    3-pentanone 32.27
    furfural 124.73
    n-dodecane 0.34
    diethylene glycol 135.05
    diisopropyl ether 7.09
    tert-amyl alcohol 94.74
    acetylacetone 94.13
    n-hexadecane 0.39
    acetophenone 48.64
    methyl propionate 54.27
    isopentyl acetate 29.82
    trichloroethylene 58.61
    n-nonanol 15.74
    cyclohexanol 38.0
    benzyl alcohol 42.18
    2-ethylhexanol 12.35
    isooctanol 15.59
    dipropyl ether 10.27
    1,2-dichlorobenzene 11.67
    ethyl lactate 43.93
    propylene carbonate 81.4
    n-methylformamide 244.49
    2-pentanol 33.18
    n-pentane 0.68
    1-propoxy-2-propanol 81.71
    1-methoxy-2-propyl acetate 65.49
    2-(2-methoxypropoxy) propanol 93.23
    mesitylene 6.11
    ε-caprolactone 104.75
    p-cymene 5.1
    epichlorohydrin 172.68
    1,1,1-trichloroethane 18.19
    2-aminoethanol 164.71
    morpholine-4-carbaldehyde 366.36
    sulfolane 458.92
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 94.46
    n-hexyl acetate 29.0
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 119.31
    sec-butyl acetate 23.14
    tert-butyl acetate 55.91
    decalin 1.24
    glycerin 165.22
    diglyme 198.55
    acrylic acid 70.24
    isopropyl myristate 10.41
    n-butyric acid 85.72
    acetyl acetate 26.19
    di(2-ethylhexyl) phthalate 19.69
    ethyl propionate 27.67
    nitromethane 215.93
    1,2-diethoxyethane 37.56
    benzonitrile 19.22
    trioctyl phosphate 13.63
    1-bromopropane 10.99
    gamma-valerolactone 293.81
    n-decanol 10.44
    triethyl phosphate 19.0
    4-methyl-2-pentanol 22.93
    propionitrile 17.91
    vinylene carbonate 56.87
    1,1,2-trichlorotrifluoroethane 180.01
    DMS 34.48
    cumene 6.26
    2-octanol 10.1
    2-hexanone 36.81
    octyl acetate 15.61
    limonene 7.22
    1,2-dimethoxyethane 221.46
    ethyl orthosilicate 18.31
    tributyl phosphate 16.74
    diacetone alcohol 157.77
    N,N-dimethylaniline 35.29
    acrylonitrile 29.06
    aniline 20.5
    1,3-propanediol 158.04
    bromobenzene 6.09
    dibromomethane 15.25
    1,1,2,2-tetrachloroethane 61.19
    2-methyl-cyclohexyl acetate 29.05
    tetrabutyl urea 28.34
    diisobutyl methanol 8.81
    2-phenylethanol 30.18
    styrene 6.85
    dioctyl adipate 23.89
    dimethyl sulfate 134.14
    ethyl butyrate 21.04
    methyl lactate 86.76
    butyl lactate 36.73
    diethyl carbonate 14.16
    propanediol butyl ether 80.52
    triethyl orthoformate 20.54
    p-tert-butyltoluene 5.33
    methyl 4-tert-butylbenzoate 61.67
    morpholine 152.84
    tert-butylamine 32.33
    n-dodecanol 6.62
    dimethoxymethane 237.56
    ethylene carbonate 43.94
    cyrene 129.47
    2-ethoxyethyl acetate 39.87
    2-ethylhexyl acetate 19.76
    1,2,4-trichlorobenzene 18.25
    4-methylpyridine 45.67
    dibutyl ether 9.68
    2,6-dimethyl-4-heptanol 8.81
    DEF 136.5
    dimethyl isosorbide 170.39
    tetrachloroethylene 32.01
    eugenol 58.79
    triacetin 52.06
    span 80 62.12
    1,4-butanediol 63.43
    1,1-dichloroethane 16.71
    2-methyl-1-pentanol 47.07
    methyl formate 117.35
    2-methyl-1-butanol 55.06
    n-decane 0.64
    butyronitrile 18.65
    3,7-dimethyl-1-octanol 17.34
    1-chlorooctane 4.14
    1-chlorotetradecane 1.61
    n-nonane 0.54
    undecane 0.45
    tert-butylcyclohexane 1.18
    cyclooctane 0.46
    cyclopentanol 68.64
    tetrahydropyran 41.64
    tert-amyl methyl ether 41.85
    2,5,8-trioxanonane 153.95
    1-hexene 4.9
    2-isopropoxyethanol 115.01
    2,2,2-trifluoroethanol 61.08
    methyl butyrate 47.19

    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