Propylene Glycol Diisononanoate

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  • Identifiers

    CAS number
    125804-17-3

    Molecular formula
    C21H44O6

    SMILES
    CC(C)CCCCCC(=O)O.CC(C)CCCCCC(=O)O.CC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 78.41%
    Cheesy 69.89%
    Sour 56.1%
    Waxy 50.65%
    Dairy 49.62%
    Sweaty 45.1%
    Milky 41.47%
    Oily 41.41%
    Creamy 38.82%
    Animal 30.21%

     

    Flavor
    Fatty 58.88%
    Cheese 53.51%
    Oily 43.73%
    Waxy 40.61%
    Sour 35.93%
    Rancid 35.16%
    Sweat 35.02%
    Cheesy 33.66%
    Fruity 32.24%
    Green 31.7%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.38 (weak base)

    Molecular weight
    392.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    246°C

    Flash point

    • 112.25 ˚C est.

  • Synonyms

    • PROPYLENE GLYCOL DIISONONANOATE
    • RefChem:869798
    • 125804-17-3
    • 7-methyloctanoic acid;propane-1,2-diol
    • 7-Methyloctanoic acid--propane-1,2-diol (2/1)
    • SCHEMBL933221
    • DTXSID10721431
    • 125804-17-3

  • Applications

    Propylene Glycol Diisononanoate (CAS 125804-17-3) finds use primarily as an emollient and solvent in cosmetics and personal care products (creams, lotions, makeup) and as a fragrance carrier/solvent in perfumery and scented products. It may also act as a plasticizer or processing aid in polymer coatings and inks, contributing flexibility and uniform film formation. Additionally, it is used as an excipient/solvent in topical pharmaceutical formulations and as a carrier for active ingredients in such products. In some household and industrial formulations, it serves as a non-ionic solvent and slip agent to dissolve lipophilic components and improve texture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1506.58
    methanol 1634.05
    isopropanol 1241.9
    water 0.48
    ethyl acetate 510.16
    n-propanol 974.33
    acetone 1018.95
    n-butanol 907.23
    acetonitrile 251.15
    DMF 780.69
    toluene 87.19
    isobutanol 804.9
    1,4-dioxane 636.1
    methyl acetate 328.94
    THF 1731.73
    2-butanone 582.32
    n-pentanol 721.9
    sec-butanol 765.32
    n-hexane 185.06
    ethylene glycol 247.52
    NMP 665.58
    cyclohexane 59.58
    DMSO 1142.79
    n-butyl acetate 647.45
    n-octanol 316.45
    chloroform 348.05
    n-propyl acetate 420.55
    acetic acid 657.89
    dichloromethane 254.56
    cyclohexanone 887.42
    propylene glycol 537.94
    isopropyl acetate 471.47
    DMAc 465.28
    2-ethoxyethanol 682.87
    isopentanol 896.36
    n-heptane 63.81
    ethyl formate 249.67
    1,2-dichloroethane 261.69
    n-hexanol 1031.71
    2-methoxyethanol 1147.94
    isobutyl acetate 337.85
    tetrachloromethane 77.99
    n-pentyl acetate 302.46
    transcutol 1910.74
    n-heptanol 369.74
    ethylbenzene 89.16
    MIBK 511.66
    2-propoxyethanol 1147.96
    tert-butanol 1743.1
    MTBE 832.55
    2-butoxyethanol 543.6
    propionic acid 528.68
    o-xylene 87.87
    formic acid 196.23
    diethyl ether 409.42
    m-xylene 134.13
    p-xylene 120.04
    chlorobenzene 125.14
    dimethyl carbonate 81.55
    n-octane 23.71
    formamide 206.76
    cyclopentanone 1085.92
    2-pentanone 642.81
    anisole 231.33
    cyclopentyl methyl ether 784.37
    gamma-butyrolactone 927.18
    1-methoxy-2-propanol 1094.72
    pyridine 278.8
    3-pentanone 300.09
    furfural 532.99
    n-dodecane 15.79
    diethylene glycol 682.28
    diisopropyl ether 227.08
    tert-amyl alcohol 1041.35
    acetylacetone 584.21
    n-hexadecane 17.74
    acetophenone 216.12
    methyl propionate 325.04
    isopentyl acetate 626.41
    trichloroethylene 438.67
    n-nonanol 265.85
    cyclohexanol 638.4
    benzyl alcohol 237.75
    2-ethylhexanol 510.73
    isooctanol 315.05
    dipropyl ether 412.17
    1,2-dichlorobenzene 138.37
    ethyl lactate 189.44
    propylene carbonate 452.88
    n-methylformamide 435.67
    2-pentanol 643.5
    n-pentane 62.83
    1-propoxy-2-propanol 950.3
    1-methoxy-2-propyl acetate 595.4
    2-(2-methoxypropoxy) propanol 430.35
    mesitylene 108.2
    ε-caprolactone 656.54
    p-cymene 84.15
    epichlorohydrin 793.91
    1,1,1-trichloroethane 275.88
    2-aminoethanol 655.49
    morpholine-4-carbaldehyde 685.42
    sulfolane 1123.09
    2,2,4-trimethylpentane 48.44
    2-methyltetrahydrofuran 1170.94
    n-hexyl acetate 460.02
    isooctane 56.79
    2-(2-butoxyethoxy)ethanol 691.21
    sec-butyl acetate 327.78
    tert-butyl acetate 626.72
    decalin 51.89
    glycerin 528.8
    diglyme 902.52
    acrylic acid 316.16
    isopropyl myristate 166.27
    n-butyric acid 958.81
    acetyl acetate 220.09
    di(2-ethylhexyl) phthalate 161.01
    ethyl propionate 296.88
    nitromethane 577.8
    1,2-diethoxyethane 521.15
    benzonitrile 223.44
    trioctyl phosphate 137.21
    1-bromopropane 193.33
    gamma-valerolactone 1083.08
    n-decanol 198.71
    triethyl phosphate 123.62
    4-methyl-2-pentanol 465.55
    propionitrile 280.2
    vinylene carbonate 288.12
    1,1,2-trichlorotrifluoroethane 544.13
    DMS 188.64
    cumene 90.13
    2-octanol 248.74
    2-hexanone 567.3
    octyl acetate 219.04
    limonene 165.12
    1,2-dimethoxyethane 829.71
    ethyl orthosilicate 138.08
    tributyl phosphate 162.93
    diacetone alcohol 867.55
    N,N-dimethylaniline 168.53
    acrylonitrile 260.91
    aniline 214.77
    1,3-propanediol 831.37
    bromobenzene 114.27
    dibromomethane 211.26
    1,1,2,2-tetrachloroethane 455.11
    2-methyl-cyclohexyl acetate 304.71
    tetrabutyl urea 199.21
    diisobutyl methanol 260.64
    2-phenylethanol 327.67
    styrene 94.67
    dioctyl adipate 230.77
    dimethyl sulfate 154.83
    ethyl butyrate 356.35
    methyl lactate 240.59
    butyl lactate 290.58
    diethyl carbonate 162.71
    propanediol butyl ether 585.81
    triethyl orthoformate 235.25
    p-tert-butyltoluene 96.35
    methyl 4-tert-butylbenzoate 271.6
    morpholine 975.15
    tert-butylamine 940.91
    n-dodecanol 144.72
    dimethoxymethane 446.44
    ethylene carbonate 263.99
    cyrene 323.14
    2-ethoxyethyl acetate 336.57
    2-ethylhexyl acetate 430.29
    1,2,4-trichlorobenzene 171.15
    4-methylpyridine 352.19
    dibutyl ether 291.29
    2,6-dimethyl-4-heptanol 260.64
    DEF 508.99
    dimethyl isosorbide 635.08
    tetrachloroethylene 299.69
    eugenol 281.96
    triacetin 307.19
    span 80 455.94
    1,4-butanediol 348.31
    1,1-dichloroethane 302.36
    2-methyl-1-pentanol 612.76
    methyl formate 220.97
    2-methyl-1-butanol 676.33
    n-decane 29.03
    butyronitrile 435.79
    3,7-dimethyl-1-octanol 357.06
    1-chlorooctane 136.69
    1-chlorotetradecane 46.15
    n-nonane 30.27
    undecane 20.82
    tert-butylcyclohexane 75.75
    cyclooctane 25.86
    cyclopentanol 845.28
    tetrahydropyran 834.38
    tert-amyl methyl ether 503.58
    2,5,8-trioxanonane 610.57
    1-hexene 471.0
    2-isopropoxyethanol 588.91
    2,2,2-trifluoroethanol 145.74
    methyl butyrate 432.14

    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