Propylene Glycol Diundecanoate

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  • Identifiers

    CAS number
    68227-47-4

    Molecular formula
    C25H48O4

    SMILES
    CCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.36%
    Oily 60.55%
    Waxy 57.47%
    Creamy 37.6%
    Buttery 34.48%
    Fruity 34.09%
    Winey 32.62%
    Odorless 32.19%
    Dairy 29.86%
    Milky 27.64%

     

    Flavor
    Waxy 62.23%
    Oily 54.86%
    Fatty 47.2%
    Fruity 42.96%
    Mild 40.52%
    Soapy 39.82%
    Creamy 37.27%
    Sweet 32.75%
    Coconut 31.73%
    Fat 29.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    7.6 (neutral)

    Molecular weight
    412.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    428°C

    Flash point

    • 197.5 ˚C est.

  • Synonyms

    • Propylene glycol diundecanoate
    • 8XYJ5IP4XZ
    • Undecanoic acid, propylene glycol diester
    • EINECS 269-359-0
    • Undecanoic acid, 1-methyl-1,2-ethanediyl ester
    • Undecanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
    • RefChem:869803
    • PROPYLENE GLYCOL DIUNDECANOATE [INCI]
    • Isopropylene undecanoate
    • 68227-47-4
    • 2-undecanoyloxypropyl undecanoate
    • Propane-1,2-diyl diundecanoate
    • UNII-8XYJ5IP4XZ
    • SCHEMBL17466186
    • DTXSID80987744
    • KRQMPRFXIVBULR-UHFFFAOYSA-N
    • NS00014017
    • (+/-)-PROPYLENE GLYCOL DIUNDECANOATE
    • PROPYLENE GLYCOL DIUNDECANOATE, (+/-)-
    • undecanoic acid 1-methyl-2-undecanoyloxy-ethyl ester
    • Q27271176
    • 68227-47-4

  • Applications

    Propylene Glycol Diundecanoate (CAS 68227-47-4) is a high‑molecular‑weight fatty ester used primarily as an emollient and solvent in cosmetics and personal care formulations. It acts as a carrier and texture enhancer for fragrances and active ingredients in creams, lotions, and makeup, providing slip and spreadability without a strong odor. In perfumery, it serves as a solvent/carrier helping dissolve and deliver aroma compounds. It is also used as a plasticizer in certain polymer systems and can function as a component in coatings and inks to adjust flexibility and flow. Additionally, it may be employed in household cleaning formulations as a lipophilic solvent for lipid‑soluble ingredients. In pharmaceutical topical formulations, it can serve as a solvent and emollient within formulation limits and regulatory guidance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.6
    methanol 35.36
    isopropanol 28.16
    water 0.25
    ethyl acetate 313.48
    n-propanol 41.08
    acetone 215.51
    n-butanol 44.85
    acetonitrile 100.11
    DMF 334.99
    toluene 128.25
    isobutanol 45.48
    1,4-dioxane 262.86
    methyl acetate 228.05
    THF 646.63
    2-butanone 285.76
    n-pentanol 45.65
    sec-butanol 59.43
    n-hexane 20.34
    ethylene glycol 3.97
    NMP 1100.9
    cyclohexane 102.3
    DMSO 439.26
    n-butyl acetate 262.25
    n-octanol 64.72
    chloroform 913.39
    n-propyl acetate 337.12
    acetic acid 141.94
    dichloromethane 1115.85
    cyclohexanone 882.52
    propylene glycol 10.33
    isopropyl acetate 278.99
    DMAc 923.86
    2-ethoxyethanol 125.89
    isopentanol 64.23
    n-heptane 14.66
    ethyl formate 140.4
    1,2-dichloroethane 689.23
    n-hexanol 37.06
    2-methoxyethanol 117.13
    isobutyl acetate 194.27
    tetrachloromethane 213.27
    n-pentyl acetate 439.82
    transcutol 697.59
    n-heptanol 54.91
    ethylbenzene 88.71
    MIBK 240.64
    2-propoxyethanol 113.82
    tert-butanol 68.24
    MTBE 167.67
    2-butoxyethanol 175.37
    propionic acid 116.67
    o-xylene 127.22
    formic acid 35.4
    diethyl ether 123.23
    m-xylene 94.14
    p-xylene 147.56
    chlorobenzene 278.22
    dimethyl carbonate 102.27
    n-octane 9.55
    formamide 77.52
    cyclopentanone 813.33
    2-pentanone 274.66
    anisole 187.27
    cyclopentyl methyl ether 360.92
    gamma-butyrolactone 794.04
    1-methoxy-2-propanol 121.06
    pyridine 377.39
    3-pentanone 282.76
    furfural 574.66
    n-dodecane 5.76
    diethylene glycol 46.28
    diisopropyl ether 64.3
    tert-amyl alcohol 116.13
    acetylacetone 457.27
    n-hexadecane 7.2
    acetophenone 306.81
    methyl propionate 239.55
    isopentyl acetate 263.02
    trichloroethylene 1218.52
    n-nonanol 66.22
    cyclohexanol 152.76
    benzyl alcohol 104.68
    2-ethylhexanol 52.88
    isooctanol 61.31
    dipropyl ether 114.37
    1,2-dichlorobenzene 374.7
    ethyl lactate 112.09
    propylene carbonate 460.99
    n-methylformamide 125.87
    2-pentanol 44.71
    n-pentane 12.14
    1-propoxy-2-propanol 123.07
    1-methoxy-2-propyl acetate 266.08
    2-(2-methoxypropoxy) propanol 181.91
    mesitylene 71.64
    ε-caprolactone 792.52
    p-cymene 63.17
    epichlorohydrin 768.31
    1,1,1-trichloroethane 752.99
    2-aminoethanol 15.12
    morpholine-4-carbaldehyde 566.15
    sulfolane 1329.06
    2,2,4-trimethylpentane 18.98
    2-methyltetrahydrofuran 531.8
    n-hexyl acetate 389.51
    isooctane 7.65
    2-(2-butoxyethoxy)ethanol 226.45
    sec-butyl acetate 257.96
    tert-butyl acetate 376.89
    decalin 39.27
    glycerin 22.77
    diglyme 642.04
    acrylic acid 92.76
    isopropyl myristate 105.8
    n-butyric acid 238.21
    acetyl acetate 270.25
    di(2-ethylhexyl) phthalate 99.9
    ethyl propionate 302.63
    nitromethane 413.28
    1,2-diethoxyethane 303.64
    benzonitrile 176.25
    trioctyl phosphate 68.37
    1-bromopropane 283.71
    gamma-valerolactone 997.31
    n-decanol 40.19
    triethyl phosphate 166.84
    4-methyl-2-pentanol 38.88
    propionitrile 100.65
    vinylene carbonate 372.3
    1,1,2-trichlorotrifluoroethane 504.3
    DMS 234.71
    cumene 65.47
    2-octanol 56.94
    2-hexanone 266.24
    octyl acetate 141.73
    limonene 112.7
    1,2-dimethoxyethane 384.58
    ethyl orthosilicate 160.3
    tributyl phosphate 105.51
    diacetone alcohol 270.17
    N,N-dimethylaniline 140.57
    acrylonitrile 119.98
    aniline 115.83
    1,3-propanediol 31.88
    bromobenzene 342.66
    dibromomethane 617.99
    1,1,2,2-tetrachloroethane 1095.45
    2-methyl-cyclohexyl acetate 245.16
    tetrabutyl urea 166.82
    diisobutyl methanol 42.99
    2-phenylethanol 87.36
    styrene 111.02
    dioctyl adipate 211.21
    dimethyl sulfate 290.67
    ethyl butyrate 269.11
    methyl lactate 94.2
    butyl lactate 230.72
    diethyl carbonate 166.93
    propanediol butyl ether 126.05
    triethyl orthoformate 213.48
    p-tert-butyltoluene 56.95
    methyl 4-tert-butylbenzoate 299.58
    morpholine 352.69
    tert-butylamine 47.64
    n-dodecanol 26.99
    dimethoxymethane 181.31
    ethylene carbonate 330.1
    cyrene 226.74
    2-ethoxyethyl acetate 486.04
    2-ethylhexyl acetate 237.57
    1,2,4-trichlorobenzene 466.71
    4-methylpyridine 389.43
    dibutyl ether 175.81
    2,6-dimethyl-4-heptanol 42.99
    DEF 454.39
    dimethyl isosorbide 444.58
    tetrachloroethylene 718.44
    eugenol 213.55
    triacetin 459.23
    span 80 163.91
    1,4-butanediol 18.5
    1,1-dichloroethane 496.23
    2-methyl-1-pentanol 69.91
    methyl formate 100.13
    2-methyl-1-butanol 69.06
    n-decane 14.09
    butyronitrile 111.52
    3,7-dimethyl-1-octanol 70.76
    1-chlorooctane 86.24
    1-chlorotetradecane 23.5
    n-nonane 13.44
    undecane 8.32
    tert-butylcyclohexane 25.01
    cyclooctane 23.25
    cyclopentanol 148.82
    tetrahydropyran 393.74
    tert-amyl methyl ether 195.5
    2,5,8-trioxanonane 329.76
    1-hexene 56.25
    2-isopropoxyethanol 116.13
    2,2,2-trifluoroethanol 99.27
    methyl butyrate 434.62

    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