Pentaerythritol monostearate

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  • Identifiers

    CAS number
    78-23-9

    Molecular formula
    C23H46O5

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 54.01%
    Oily 45.49%
    Fatty 42.71%
    Odorless 35.16%
    Sweet 30.58%
    Fresh 30.25%
    Woody 29.05%
    Fruity 27.03%
    Amber 25.1%
    Clean 24.09%

     

    Flavor
    Waxy 54.48%
    Mild 38.76%
    Oily 38.2%
    Fatty 35.33%
    Soapy 30.52%
    Sweet 28.25%
    Bland 28.24%
    Floral 24.5%
    Fruity 24.12%
    Clean 23.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    6.44 (neutral)

    Molecular weight
    402.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    546°C

    Flash point

    • 225.38 ˚C est.

  • Synonyms

    • PENTAERYTHRITOL MONOSTEARATE
    • 78-23-9
    • pentaerythrityl stearate
    • Pentaerythritol stearate
    • Gruenau S
    • Octadecanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
    • Pentamull 6
    • [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadecanoate
    • Stearic acid, pentaerythritol ester (1:1)
    • T9BY3B181Z
    • Stearic acid, monoester with pentaerythritol
    • 3-Hydroxy-2,2-bis(hydroxymethyl)propyl stearate
    • NSC-71130
    • Stearic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
    • UNII-T9BY3B181Z
    • EINECS 201-096-9
    • NSC 71130
    • AI3-14764
    • SCHEMBL77296
    • ATMER 181
    • DTXSID0052675
    • 3-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL OCTADECANOATE
    • NSC71130
    • PENTAERYTHRITOL, MONOSTEARATE
    • pentaerythritol monostearate, AldrichCPR
    • DB-255922
    • NS00021354
    • Stearic acid,2-bis(hydroxymethyl)propyl ester
    • Octadecanoic acid,2-bis(hydroxymethyl)propyl ester
    • Q27289843
    • 78-23-9

  • Applications

    Pentaerythritol monostearate (CAS 78-23-9) is a waxy fatty ester derived from pentaerythritol and stearic acid, used as a multifunctional additive across industries: in cosmetics/personal care as an emollient and thickener; in industrial lubricants and metalworking fluids as a lubricity modifier and base component; in polymers and coatings as a plasticizer and processing aid; in coatings, inks and cleaning formulations as a rheology modifier and slip agent; and can function as a nonionic surfactant/emulsifier in certain cleaning systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.52
    methanol 36.11
    isopropanol 19.62
    water 0.64
    ethyl acetate 65.28
    n-propanol 28.15
    acetone 71.75
    n-butanol 27.72
    acetonitrile 18.52
    DMF 212.99
    toluene 25.18
    isobutanol 29.38
    1,4-dioxane 98.25
    methyl acetate 58.68
    THF 329.36
    2-butanone 88.15
    n-pentanol 24.89
    sec-butanol 30.91
    n-hexane 4.62
    ethylene glycol 6.14
    NMP 521.2
    cyclohexane 22.79
    DMSO 328.37
    n-butyl acetate 74.63
    n-octanol 39.95
    chloroform 217.55
    n-propyl acetate 102.4
    acetic acid 89.14
    dichloromethane 195.43
    cyclohexanone 302.78
    propylene glycol 16.22
    isopropyl acetate 79.83
    DMAc 389.66
    2-ethoxyethanol 77.39
    isopentanol 37.58
    n-heptane 5.89
    ethyl formate 51.48
    1,2-dichloroethane 130.71
    n-hexanol 22.48
    2-methoxyethanol 96.01
    isobutyl acetate 76.22
    tetrachloromethane 59.96
    n-pentyl acetate 168.52
    transcutol 363.63
    n-heptanol 40.91
    ethylbenzene 22.5
    MIBK 92.07
    2-propoxyethanol 73.73
    tert-butanol 52.75
    MTBE 56.51
    2-butoxyethanol 127.21
    propionic acid 77.48
    o-xylene 34.1
    formic acid 36.39
    diethyl ether 28.64
    m-xylene 25.69
    p-xylene 33.69
    chlorobenzene 51.99
    dimethyl carbonate 52.18
    n-octane 3.91
    formamide 66.21
    cyclopentanone 368.78
    2-pentanone 85.89
    anisole 51.54
    cyclopentyl methyl ether 164.4
    gamma-butyrolactone 405.1
    1-methoxy-2-propanol 107.14
    pyridine 91.57
    3-pentanone 81.0
    furfural 250.49
    n-dodecane 2.51
    diethylene glycol 41.17
    diisopropyl ether 21.52
    tert-amyl alcohol 61.73
    acetylacetone 151.14
    n-hexadecane 2.99
    acetophenone 102.95
    methyl propionate 83.73
    isopentyl acetate 90.6
    trichloroethylene 274.37
    n-nonanol 40.21
    cyclohexanol 81.16
    benzyl alcohol 45.29
    2-ethylhexanol 28.44
    isooctanol 47.08
    dipropyl ether 44.67
    1,2-dichlorobenzene 77.41
    ethyl lactate 73.74
    propylene carbonate 237.25
    n-methylformamide 75.38
    2-pentanol 26.09
    n-pentane 3.56
    1-propoxy-2-propanol 88.33
    1-methoxy-2-propyl acetate 110.06
    2-(2-methoxypropoxy) propanol 111.71
    mesitylene 23.54
    ε-caprolactone 303.23
    p-cymene 23.72
    epichlorohydrin 273.8
    1,1,1-trichloroethane 163.41
    2-aminoethanol 20.31
    morpholine-4-carbaldehyde 283.95
    sulfolane 894.41
    2,2,4-trimethylpentane 7.63
    2-methyltetrahydrofuran 175.02
    n-hexyl acetate 144.75
    isooctane 3.94
    2-(2-butoxyethoxy)ethanol 141.06
    sec-butyl acetate 85.44
    tert-butyl acetate 150.88
    decalin 11.96
    glycerin 41.84
    diglyme 331.74
    acrylic acid 64.47
    isopropyl myristate 44.75
    n-butyric acid 129.54
    acetyl acetate 63.31
    di(2-ethylhexyl) phthalate 50.86
    ethyl propionate 83.58
    nitromethane 167.28
    1,2-diethoxyethane 93.65
    benzonitrile 51.71
    trioctyl phosphate 40.01
    1-bromopropane 49.78
    gamma-valerolactone 468.94
    n-decanol 23.92
    triethyl phosphate 70.92
    4-methyl-2-pentanol 27.12
    propionitrile 25.74
    vinylene carbonate 174.17
    1,1,2-trichlorotrifluoroethane 299.19
    DMS 85.62
    cumene 20.79
    2-octanol 36.44
    2-hexanone 82.63
    octyl acetate 58.38
    limonene 41.49
    1,2-dimethoxyethane 149.33
    ethyl orthosilicate 67.91
    tributyl phosphate 49.92
    diacetone alcohol 177.35
    N,N-dimethylaniline 50.32
    acrylonitrile 33.55
    aniline 38.56
    1,3-propanediol 34.64
    bromobenzene 54.89
    dibromomethane 113.84
    1,1,2,2-tetrachloroethane 305.86
    2-methyl-cyclohexyl acetate 98.02
    tetrabutyl urea 76.03
    diisobutyl methanol 26.83
    2-phenylethanol 40.32
    styrene 23.29
    dioctyl adipate 90.03
    dimethyl sulfate 171.08
    ethyl butyrate 91.18
    methyl lactate 78.91
    butyl lactate 142.12
    diethyl carbonate 56.35
    propanediol butyl ether 113.06
    triethyl orthoformate 90.89
    p-tert-butyltoluene 24.42
    methyl 4-tert-butylbenzoate 165.07
    morpholine 155.6
    tert-butylamine 31.99
    n-dodecanol 15.67
    dimethoxymethane 102.46
    ethylene carbonate 154.99
    cyrene 147.49
    2-ethoxyethyl acetate 174.03
    2-ethylhexyl acetate 75.77
    1,2,4-trichlorobenzene 104.8
    4-methylpyridine 80.14
    dibutyl ether 53.65
    2,6-dimethyl-4-heptanol 26.83
    DEF 157.56
    dimethyl isosorbide 244.57
    tetrachloroethylene 194.54
    eugenol 121.36
    triacetin 201.77
    span 80 109.12
    1,4-butanediol 16.0
    1,1-dichloroethane 93.42
    2-methyl-1-pentanol 34.15
    methyl formate 56.66
    2-methyl-1-butanol 37.45
    n-decane 5.87
    butyronitrile 29.59
    3,7-dimethyl-1-octanol 40.65
    1-chlorooctane 30.52
    1-chlorotetradecane 8.73
    n-nonane 5.4
    undecane 3.53
    tert-butylcyclohexane 9.25
    cyclooctane 7.27
    cyclopentanol 97.19
    tetrahydropyran 131.96
    tert-amyl methyl ether 67.48
    2,5,8-trioxanonane 186.8
    1-hexene 12.25
    2-isopropoxyethanol 67.03
    2,2,2-trifluoroethanol 68.35
    methyl butyrate 136.36

    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