Propanediol Dipelargonate

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  • Identifiers

    CAS number
    28267-33-6

    Molecular formula
    C21H40O4

    SMILES
    CCCCCCCCC(=O)OCCCOC(=O)CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 67.35%
    Fatty 64.77%
    Fruity 62.74%
    Winey 58.15%
    Waxy 45.17%
    Cognac 43.05%
    Sweet 34.24%
    Fermented 33.7%
    Creamy 31.2%
    Buttery 31.15%

     

    Flavor
    Waxy 71.18%
    Fruity 69.61%
    Sweet 52.55%
    Oily 51.45%
    Soapy 44.29%
    Wine 42.25%
    Green 40.9%
    Fatty 40.04%
    Creamy 39.74%
    Pear 37.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.07 (neutral)

    Molecular weight
    356.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Flash point

    • 178.61 ˚C est.

  • Synonyms

    • Propanediol dipelargonate
    • Pelemol P-99
    • Trimethylene dipelargonate
    • 1,3-Propanediol, dinonanoate
    • Nonanoic acid, trimethylene ester
    • UNII-MI7SX74X8G
    • MI7SX74X8G
    • Nonanoic acid, 1,3-propanediyl ester
    • Propanediol dipelargonate [INCI]
    • Nonanoic acid, 1,1'-(1,3-propanediyl) ester
    • DTXSID40182516
    • RefChem:176297
    • DTXCID80105007
    • 28267-33-6
    • Propane-1,3-diyl dinonanoate
    • SCHEMBL813169
    • SCHEMBL11039289
    • SCHEMBL11042876
    • Q27284041
    • 28267-33-6

  • Applications

    Propanediol Dipelargonate is an oil-like diester of 1,3-propanediol and pelargonic acid (nonanoic acid) that is commonly used as an emollient and solvent in cosmetics and personal care formulations. It also functions as a plasticizer and processing aid in polymers and coatings, helping to improve film flexibility and handling during formulation. In industrial manufacturing, it can serve as a viscous, low-volatility carrier for active ingredients and fragrance oils. In fragrance and perfumery, it may be used as a fragrance solvent and carrier for aroma compounds. Additionally, it is sometimes employed in household cleaning formulations as an emollient solvent to dissolve oils and solubilize additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.16
    methanol 72.82
    isopropanol 52.41
    water 0.18
    ethyl acetate 418.17
    n-propanol 65.31
    acetone 364.45
    n-butanol 72.18
    acetonitrile 166.61
    DMF 608.49
    toluene 197.08
    isobutanol 73.78
    1,4-dioxane 349.2
    methyl acetate 305.76
    THF 909.45
    2-butanone 395.53
    n-pentanol 66.83
    sec-butanol 83.23
    n-hexane 20.81
    ethylene glycol 6.89
    NMP 1559.02
    cyclohexane 97.59
    DMSO 788.39
    n-butyl acetate 333.23
    n-octanol 75.6
    chloroform 1294.66
    n-propyl acetate 452.49
    acetic acid 222.36
    dichloromethane 1570.55
    cyclohexanone 1272.06
    propylene glycol 18.21
    isopropyl acetate 362.89
    DMAc 1118.87
    2-ethoxyethanol 182.86
    isopentanol 100.47
    n-heptane 14.29
    ethyl formate 198.27
    1,2-dichloroethane 954.4
    n-hexanol 48.38
    2-methoxyethanol 203.17
    isobutyl acetate 265.51
    tetrachloromethane 230.33
    n-pentyl acetate 520.51
    transcutol 984.39
    n-heptanol 62.1
    ethylbenzene 119.89
    MIBK 352.02
    2-propoxyethanol 157.47
    tert-butanol 118.69
    MTBE 217.18
    2-butoxyethanol 201.79
    propionic acid 187.06
    o-xylene 171.72
    formic acid 56.31
    diethyl ether 170.87
    m-xylene 141.75
    p-xylene 188.25
    chlorobenzene 400.23
    dimethyl carbonate 140.61
    n-octane 9.53
    formamide 130.12
    cyclopentanone 1258.46
    2-pentanone 417.41
    anisole 254.13
    cyclopentyl methyl ether 520.77
    gamma-butyrolactone 1248.6
    1-methoxy-2-propanol 216.31
    pyridine 567.18
    3-pentanone 376.59
    furfural 900.61
    n-dodecane 6.78
    diethylene glycol 75.07
    diisopropyl ether 80.82
    tert-amyl alcohol 157.14
    acetylacetone 662.8
    n-hexadecane 8.5
    acetophenone 409.95
    methyl propionate 343.62
    isopentyl acetate 320.26
    trichloroethylene 1741.97
    n-nonanol 76.83
    cyclohexanol 229.02
    benzyl alcohol 164.98
    2-ethylhexanol 64.69
    isooctanol 70.46
    dipropyl ether 147.14
    1,2-dichlorobenzene 490.66
    ethyl lactate 155.21
    propylene carbonate 683.17
    n-methylformamide 224.48
    2-pentanol 65.05
    n-pentane 12.51
    1-propoxy-2-propanol 166.7
    1-methoxy-2-propyl acetate 335.97
    2-(2-methoxypropoxy) propanol 220.72
    mesitylene 102.35
    ε-caprolactone 1090.44
    p-cymene 78.91
    epichlorohydrin 1148.23
    1,1,1-trichloroethane 951.75
    2-aminoethanol 26.6
    morpholine-4-carbaldehyde 849.95
    sulfolane 2048.92
    2,2,4-trimethylpentane 18.54
    2-methyltetrahydrofuran 668.99
    n-hexyl acetate 467.15
    isooctane 8.89
    2-(2-butoxyethoxy)ethanol 277.79
    sec-butyl acetate 317.26
    tert-butyl acetate 484.47
    decalin 42.3
    glycerin 41.11
    diglyme 758.37
    acrylic acid 153.83
    isopropyl myristate 130.21
    n-butyric acid 363.44
    acetyl acetate 341.91
    di(2-ethylhexyl) phthalate 126.56
    ethyl propionate 384.57
    nitromethane 641.99
    1,2-diethoxyethane 361.14
    benzonitrile 271.73
    trioctyl phosphate 87.5
    1-bromopropane 387.34
    gamma-valerolactone 1581.46
    n-decanol 48.18
    triethyl phosphate 196.06
    4-methyl-2-pentanol 55.93
    propionitrile 159.21
    vinylene carbonate 548.43
    1,1,2-trichlorotrifluoroethane 737.57
    DMS 309.86
    cumene 83.36
    2-octanol 64.29
    2-hexanone 352.97
    octyl acetate 169.83
    limonene 137.34
    1,2-dimethoxyethane 534.35
    ethyl orthosilicate 179.52
    tributyl phosphate 135.65
    diacetone alcohol 380.72
    N,N-dimethylaniline 184.68
    acrylonitrile 216.75
    aniline 185.97
    1,3-propanediol 57.13
    bromobenzene 497.33
    dibromomethane 863.9
    1,1,2,2-tetrachloroethane 1453.63
    2-methyl-cyclohexyl acetate 289.23
    tetrabutyl urea 205.72
    diisobutyl methanol 54.12
    2-phenylethanol 122.13
    styrene 158.27
    dioctyl adipate 259.67
    dimethyl sulfate 379.61
    ethyl butyrate 336.79
    methyl lactate 143.57
    butyl lactate 287.62
    diethyl carbonate 204.53
    propanediol butyl ether 175.21
    triethyl orthoformate 244.73
    p-tert-butyltoluene 71.31
    methyl 4-tert-butylbenzoate 373.72
    morpholine 498.24
    tert-butylamine 74.99
    n-dodecanol 33.25
    dimethoxymethane 303.99
    ethylene carbonate 477.14
    cyrene 294.27
    2-ethoxyethyl acetate 557.54
    2-ethylhexyl acetate 276.14
    1,2,4-trichlorobenzene 596.76
    4-methylpyridine 606.63
    dibutyl ether 206.96
    2,6-dimethyl-4-heptanol 54.12
    DEF 636.45
    dimethyl isosorbide 539.63
    tetrachloroethylene 953.72
    eugenol 265.45
    triacetin 582.87
    span 80 214.03
    1,4-butanediol 28.45
    1,1-dichloroethane 714.91
    2-methyl-1-pentanol 92.52
    methyl formate 164.02
    2-methyl-1-butanol 99.41
    n-decane 15.65
    butyronitrile 176.37
    3,7-dimethyl-1-octanol 80.36
    1-chlorooctane 100.14
    1-chlorotetradecane 29.85
    n-nonane 14.53
    undecane 9.57
    tert-butylcyclohexane 28.31
    cyclooctane 22.23
    cyclopentanol 236.48
    tetrahydropyran 514.34
    tert-amyl methyl ether 232.66
    2,5,8-trioxanonane 413.49
    1-hexene 71.97
    2-isopropoxyethanol 158.77
    2,2,2-trifluoroethanol 137.82
    methyl butyrate 569.39

    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