Pentaerythrityl Tetrapelargonate

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  • Identifiers

    CAS number
    14450-05-6

    Molecular formula
    C41H76O8

    SMILES
    CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 56.05%
    Fatty 53.0%
    Fruity 41.03%
    Waxy 39.68%
    Winey 35.85%
    Odorless 33.96%
    Peach 28.39%
    Buttery 27.27%
    Lactonic 26.68%
    Creamy 25.26%

     

    Flavor
    Waxy 56.34%
    Fruity 47.21%
    Oily 45.58%
    Fatty 36.03%
    Mild 34.73%
    Soapy 32.38%
    Sweet 31.68%
    Wine 30.3%
    Creamy 29.94%
    Green 27.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.0

    pKa est.
    7.58 (neutral)

    Molecular weight
    697.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    558°C

    Flash point

    • 248.83 ˚C est.

  • Synonyms

    • 14450-05-6
    • Pentaerythrityl tetrapelargonate
    • Pentaerythritol tetranonanoate
    • pentaerythritol tetrapelargonate
    • Nonanoic acid, neopentanetetrayl ester
    • 2,2-BIS[[(1-OXONONYL)OXY]METHYL]PROPANE-1,3-DIYL DINONAN-1-OATE
    • RNT5EQ94KD
    • Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
    • PELEMOL PTP
    • pentaerythritol nonanoate
    • EINECS 238-430-8
    • 2,2-Bis(((1-oxononyl)oxy)methyl)propane-1,3-diyl dinonan-1-oate
    • REOLUBE LP 3600
    • AI3-14798
    • DTXSID6027765
    • Nonanoic acid, 2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl ester
    • PENTAERYTHRITOL, TETRANONANOATE
    • PENTAERYTHRITOL TETRAKISPELARGONATE
    • Nonanoic acid, 1,1'-(2,2-bis(((1-oxononyl)oxy)methyl)-1,3-propanediyl) ester
    • Nonanoic acid, 1,1'-[2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester
    • RefChem:859785
    • DTXCID907765
    • PENTAERYTHRITYL TETRAPELARGONATE [INCI]
    • Nonanoic acid, 2,2-bis(1-oxononyl)oxymethyl-1,3-propanediyl ester
    • [3-nonanoyloxy-2,2-bis(nonanoyloxymethyl)propyl] nonanoate
    • 2,2-Bis((nonanoyloxy)methyl)propane-1,3-diyl dinonanoate
    • UNII-RNT5EQ94KD
    • 2,2-Bis[(nonanoyloxy)methyl]propane-1,3-diyl dinonanoate
    • SCHEMBL5166564
    • IBKKMFMBXQARGV-UHFFFAOYSA-N
    • DB-250809
    • NS00013966
    • Q27288215
    • 14450-05-6

  • Applications

    Pentaerythrityl Tetrapelargonate (CAS 14450-05-6) is a bulky, lipophilic pentaerythritol tetraester that is used in formulations as an emollient and skin-conditioning ingredient in cosmetics and personal care products. In perfumery, it may serve as a carrier or solvent for fragrance components. In polymers and plastics, coatings and inks, it is used as a plasticizer and processing aid to modify texture, flexibility, and handling of formulations. Its high molecular weight and lipophilicity make it a suitable additive in specialty formulations where a conditioning oil-like component is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.21
    methanol 53.31
    isopropanol 31.32
    water 1.72
    ethyl acetate 246.57
    n-propanol 49.09
    acetone 227.93
    n-butanol 38.39
    acetonitrile 92.27
    DMF 446.91
    toluene 113.05
    isobutanol 45.27
    1,4-dioxane 137.49
    methyl acetate 223.39
    THF 352.94
    2-butanone 240.22
    n-pentanol 41.71
    sec-butanol 52.05
    n-hexane 9.06
    ethylene glycol 11.89
    NMP 1367.25
    cyclohexane 13.96
    DMSO 362.8
    n-butyl acetate 122.53
    n-octanol 34.76
    chloroform 756.59
    n-propyl acetate 185.1
    acetic acid 254.23
    dichloromethane 742.31
    cyclohexanone 453.64
    propylene glycol 28.69
    isopropyl acetate 191.66
    DMAc 945.59
    2-ethoxyethanol 111.47
    isopentanol 41.78
    n-heptane 5.46
    ethyl formate 130.11
    1,2-dichloroethane 372.55
    n-hexanol 22.58
    2-methoxyethanol 125.93
    isobutyl acetate 112.53
    tetrachloromethane 127.95
    n-pentyl acetate 203.08
    transcutol 368.25
    n-heptanol 30.65
    ethylbenzene 59.95
    MIBK 132.81
    2-propoxyethanol 92.47
    tert-butanol 49.35
    MTBE 83.73
    2-butoxyethanol 110.48
    propionic acid 190.28
    o-xylene 105.64
    formic acid 102.97
    diethyl ether 62.07
    m-xylene 84.52
    p-xylene 88.92
    chlorobenzene 215.29
    dimethyl carbonate 227.95
    n-octane 4.14
    formamide 166.86
    cyclopentanone 618.57
    2-pentanone 188.35
    anisole 117.86
    cyclopentyl methyl ether 212.53
    gamma-butyrolactone 844.34
    1-methoxy-2-propanol 139.93
    pyridine 260.15
    3-pentanone 226.38
    furfural 642.57
    n-dodecane 2.79
    diethylene glycol 50.78
    diisopropyl ether 30.99
    tert-amyl alcohol 75.56
    acetylacetone 391.85
    n-hexadecane 3.27
    acetophenone 232.6
    methyl propionate 293.54
    isopentyl acetate 113.97
    trichloroethylene 1014.47
    n-nonanol 35.79
    cyclohexanol 83.8
    benzyl alcohol 91.81
    2-ethylhexanol 24.63
    isooctanol 31.75
    dipropyl ether 51.84
    1,2-dichlorobenzene 290.16
    ethyl lactate 119.99
    propylene carbonate 506.74
    n-methylformamide 216.04
    2-pentanol 35.93
    n-pentane 5.96
    1-propoxy-2-propanol 90.64
    1-methoxy-2-propyl acetate 184.66
    2-(2-methoxypropoxy) propanol 128.25
    mesitylene 53.03
    ε-caprolactone 493.07
    p-cymene 36.99
    epichlorohydrin 561.08
    1,1,1-trichloroethane 503.7
    2-aminoethanol 32.4
    morpholine-4-carbaldehyde 543.06
    sulfolane 1386.37
    2,2,4-trimethylpentane 8.93
    2-methyltetrahydrofuran 251.95
    n-hexyl acetate 180.98
    isooctane 3.63
    2-(2-butoxyethoxy)ethanol 134.35
    sec-butyl acetate 141.63
    tert-butyl acetate 220.69
    decalin 13.83
    glycerin 62.01
    diglyme 320.1
    acrylic acid 195.13
    isopropyl myristate 54.61
    n-butyric acid 229.75
    acetyl acetate 262.37
    di(2-ethylhexyl) phthalate 76.85
    ethyl propionate 199.68
    nitromethane 599.78
    1,2-diethoxyethane 124.33
    benzonitrile 131.0
    trioctyl phosphate 48.04
    1-bromopropane 133.52
    gamma-valerolactone 797.73
    n-decanol 22.25
    triethyl phosphate 104.93
    4-methyl-2-pentanol 27.19
    propionitrile 87.79
    vinylene carbonate 473.33
    1,1,2-trichlorotrifluoroethane 577.81
    DMS 233.31
    cumene 42.59
    2-octanol 28.69
    2-hexanone 146.66
    octyl acetate 78.14
    limonene 51.88
    1,2-dimethoxyethane 179.94
    ethyl orthosilicate 87.46
    tributyl phosphate 68.3
    diacetone alcohol 205.19
    N,N-dimethylaniline 104.43
    acrylonitrile 132.27
    aniline 112.15
    1,3-propanediol 44.07
    bromobenzene 259.22
    dibromomethane 370.74
    1,1,2,2-tetrachloroethane 838.32
    2-methyl-cyclohexyl acetate 124.43
    tetrabutyl urea 98.57
    diisobutyl methanol 19.69
    2-phenylethanol 58.8
    styrene 72.12
    dioctyl adipate 117.24
    dimethyl sulfate 588.38
    ethyl butyrate 139.48
    methyl lactate 187.47
    butyl lactate 168.96
    diethyl carbonate 102.44
    propanediol butyl ether 107.93
    triethyl orthoformate 110.91
    p-tert-butyltoluene 35.19
    methyl 4-tert-butylbenzoate 259.36
    morpholine 183.78
    tert-butylamine 28.3
    n-dodecanol 15.04
    dimethoxymethane 222.34
    ethylene carbonate 354.41
    cyrene 223.31
    2-ethoxyethyl acetate 288.62
    2-ethylhexyl acetate 99.55
    1,2,4-trichlorobenzene 401.28
    4-methylpyridine 275.89
    dibutyl ether 56.93
    2,6-dimethyl-4-heptanol 19.69
    DEF 310.98
    dimethyl isosorbide 293.5
    tetrachloroethylene 514.07
    eugenol 169.37
    triacetin 377.62
    span 80 115.28
    1,4-butanediol 27.69
    1,1-dichloroethane 330.07
    2-methyl-1-pentanol 46.07
    methyl formate 196.15
    2-methyl-1-butanol 51.77
    n-decane 6.06
    butyronitrile 67.62
    3,7-dimethyl-1-octanol 36.63
    1-chlorooctane 35.79
    1-chlorotetradecane 11.84
    n-nonane 5.62
    undecane 3.85
    tert-butylcyclohexane 10.65
    cyclooctane 7.0
    cyclopentanol 107.76
    tetrahydropyran 141.62
    tert-amyl methyl ether 108.12
    2,5,8-trioxanonane 181.36
    1-hexene 28.61
    2-isopropoxyethanol 91.51
    2,2,2-trifluoroethanol 200.39
    methyl butyrate 250.34

    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