Pentaerythrityl distearate

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  • Identifiers

    CAS number
    13081-97-5

    Molecular formula
    C41H80O6

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.08%
    Fatty 54.6%
    Oily 47.31%
    Odorless 37.92%
    Sweet 22.87%
    Creamy 22.4%
    Woody 20.98%
    Balsamic 20.02%
    Alcoholic 19.85%
    Milky 19.25%

     

    Flavor
    Waxy 54.41%
    Mild 43.01%
    Oily 41.61%
    Fatty 39.41%
    Bland 34.9%
    Faint 28.38%
    Soapy 27.65%
    Fat 24.11%
    Slightly waxy 23.92%
    Beer 23.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.6

    pKa est.
    8.0 (weak base)

    Molecular weight
    669.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    912°C

    Flash point

    • 277.38 ˚C est.

  • Synonyms

    • Pentaerythritol Distearate
    • 13081-97-5
    • Pentaerythrityl distearate
    • 2,2-Bis(hydroxymethyl)propane-1,3-diyl distearate
    • 697WOT8HNB
    • Octadecanoic acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
    • CUTINA PES
    • DUB DSPE
    • EINECS 235-991-0
    • RADIASURF 7175
    • DTXSID4047175
    • Octadecanoic acid, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester
    • Octadecanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester
    • RefChem:859769
    • DTXCID2027175
    • PENTAERYTHRITYL DISTEARATE [INCI]
    • [2,2-bis(hydroxymethyl)-3-octadecanoyloxypropyl] octadecanoate
    • MFCD00059225
    • UNII-697WOT8HNB
    • C41H80O6
    • P0738
    • orb2939880
    • SCHEMBL2700999
    • FSEJJKIPRNUIFL-UHFFFAOYSA-N
    • [2,2-bis(hydroxymethyl)-3-octadecanoyloxy-propyl] octadecanoate
    • HY-W127364
    • SY052349
    • CS-0185601
    • NS00013963
    • D92005
    • 2,2-Bis(hydroxymethyl)propane-1,3-diyldistearate
    • Q27264327
    • 2,2-bis(hydroxymethyl)propane-1,3-diyl dioctadecanoate
    • 3-Hydroxy-2-(hydroxymethyl)-2-[(stearoyloxy)methyl]propyl stearate, AldrichCPR
    • 13081-97-5

  • Applications

    Pentaerythrityl distearate (CAS 13081-97-5) is a waxy ester used as a thickener, emollient, and slip-enhancing additive in cosmetics and personal care formulations, typically improving texture, spreadability, and conditioning in creams, lotions, and cosmetic sticks. It is often employed in coatings and inks as a wax-like rheology modifier and gloss/feel enhancer, helping compatibility and processability of formulations. In polymers and plastics applications, it functions as a plasticizer or processing aid to improve smoothness, surface finish, and dispersion of pigments in certain resin systems. In adhesives and sealants, it can act as a tack-modifier or lubricant to reduce friction during application. It may also serve as a chemical intermediate for synthesis of other pentaerythritol esters and related specialty waxes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.9
    methanol 14.19
    isopropanol 8.27
    water 0.47
    ethyl acetate 68.67
    n-propanol 14.14
    acetone 55.82
    n-butanol 12.94
    acetonitrile 16.47
    DMF 147.55
    toluene 35.6
    isobutanol 13.52
    1,4-dioxane 68.26
    methyl acetate 54.32
    THF 209.47
    2-butanone 71.78
    n-pentanol 13.21
    sec-butanol 15.62
    n-hexane 4.13
    ethylene glycol 2.78
    NMP 602.24
    cyclohexane 12.23
    DMSO 140.19
    n-butyl acetate 53.69
    n-octanol 20.69
    chloroform 247.34
    n-propyl acetate 67.15
    acetic acid 65.09
    dichloromethane 222.8
    cyclohexanone 217.72
    propylene glycol 7.23
    isopropyl acetate 68.96
    DMAc 363.15
    2-ethoxyethanol 40.0
    isopentanol 15.3
    n-heptane 4.26
    ethyl formate 40.66
    1,2-dichloroethane 118.42
    n-hexanol 10.5
    2-methoxyethanol 43.3
    isobutyl acetate 47.22
    tetrachloromethane 54.16
    n-pentyl acetate 118.36
    transcutol 201.0
    n-heptanol 19.21
    ethylbenzene 23.86
    MIBK 58.35
    2-propoxyethanol 40.82
    tert-butanol 16.46
    MTBE 33.21
    2-butoxyethanol 67.08
    propionic acid 51.94
    o-xylene 38.63
    formic acid 24.64
    diethyl ether 21.01
    m-xylene 29.88
    p-xylene 33.14
    chlorobenzene 65.85
    dimethyl carbonate 61.84
    n-octane 2.89
    formamide 40.58
    cyclopentanone 297.58
    2-pentanone 67.39
    anisole 46.18
    cyclopentyl methyl ether 123.33
    gamma-butyrolactone 367.71
    1-methoxy-2-propanol 51.01
    pyridine 101.22
    3-pentanone 75.53
    furfural 244.94
    n-dodecane 1.74
    diethylene glycol 18.52
    diisopropyl ether 14.73
    tert-amyl alcohol 27.35
    acetylacetone 136.73
    n-hexadecane 2.04
    acetophenone 92.37
    methyl propionate 84.64
    isopentyl acetate 58.89
    trichloroethylene 303.8
    n-nonanol 22.12
    cyclohexanol 39.21
    benzyl alcohol 32.81
    2-ethylhexanol 14.78
    isooctanol 21.72
    dipropyl ether 31.15
    1,2-dichlorobenzene 99.34
    ethyl lactate 49.45
    propylene carbonate 216.82
    n-methylformamide 56.24
    2-pentanol 13.07
    n-pentane 2.89
    1-propoxy-2-propanol 48.4
    1-methoxy-2-propyl acetate 88.62
    2-(2-methoxypropoxy) propanol 72.04
    mesitylene 22.49
    ε-caprolactone 244.68
    p-cymene 19.2
    epichlorohydrin 239.95
    1,1,1-trichloroethane 164.55
    2-aminoethanol 8.94
    morpholine-4-carbaldehyde 245.87
    sulfolane 734.82
    2,2,4-trimethylpentane 5.46
    2-methyltetrahydrofuran 130.71
    n-hexyl acetate 105.3
    isooctane 2.32
    2-(2-butoxyethoxy)ethanol 79.65
    sec-butyl acetate 61.0
    tert-butyl acetate 111.57
    decalin 9.07
    glycerin 17.62
    diglyme 204.17
    acrylic acid 49.96
    isopropyl myristate 30.69
    n-butyric acid 78.3
    acetyl acetate 75.38
    di(2-ethylhexyl) phthalate 38.26
    ethyl propionate 74.36
    nitromethane 144.89
    1,2-diethoxyethane 64.54
    benzonitrile 42.92
    trioctyl phosphate 26.57
    1-bromopropane 46.02
    gamma-valerolactone 395.67
    n-decanol 13.14
    triethyl phosphate 58.62
    4-methyl-2-pentanol 12.3
    propionitrile 20.42
    vinylene carbonate 182.79
    1,1,2-trichlorotrifluoroethane 252.17
    DMS 88.43
    cumene 18.82
    2-octanol 18.4
    2-hexanone 58.5
    octyl acetate 41.82
    limonene 31.44
    1,2-dimethoxyethane 79.76
    ethyl orthosilicate 52.77
    tributyl phosphate 36.87
    diacetone alcohol 102.17
    N,N-dimethylaniline 47.78
    acrylonitrile 29.53
    aniline 35.27
    1,3-propanediol 12.62
    bromobenzene 77.76
    dibromomethane 113.63
    1,1,2,2-tetrachloroethane 301.09
    2-methyl-cyclohexyl acetate 72.45
    tetrabutyl urea 54.85
    diisobutyl methanol 12.89
    2-phenylethanol 25.09
    styrene 25.38
    dioctyl adipate 65.45
    dimethyl sulfate 194.97
    ethyl butyrate 69.08
    methyl lactate 63.86
    butyl lactate 99.07
    diethyl carbonate 45.16
    propanediol butyl ether 57.79
    triethyl orthoformate 71.3
    p-tert-butyltoluene 19.94
    methyl 4-tert-butylbenzoate 145.66
    morpholine 93.48
    tert-butylamine 10.78
    n-dodecanol 8.46
    dimethoxymethane 77.47
    ethylene carbonate 139.88
    cyrene 115.03
    2-ethoxyethyl acetate 146.08
    2-ethylhexyl acetate 54.47
    1,2,4-trichlorobenzene 140.84
    4-methylpyridine 89.22
    dibutyl ether 36.19
    2,6-dimethyl-4-heptanol 12.89
    DEF 125.04
    dimethyl isosorbide 196.11
    tetrachloroethylene 184.27
    eugenol 94.6
    triacetin 174.93
    span 80 70.28
    1,4-butanediol 7.53
    1,1-dichloroethane 91.23
    2-methyl-1-pentanol 17.9
    methyl formate 51.75
    2-methyl-1-butanol 18.86
    n-decane 4.21
    butyronitrile 19.45
    3,7-dimethyl-1-octanol 21.69
    1-chlorooctane 22.03
    1-chlorotetradecane 6.35
    n-nonane 3.84
    undecane 2.5
    tert-butylcyclohexane 6.82
    cyclooctane 5.66
    cyclopentanol 48.29
    tetrahydropyran 84.11
    tert-amyl methyl ether 48.38
    2,5,8-trioxanonane 112.45
    1-hexene 10.74
    2-isopropoxyethanol 35.4
    2,2,2-trifluoroethanol 51.55
    methyl butyrate 100.17

    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