3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl octadecanoate

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  • Identifiers

    CAS number
    66168-54-5

    Molecular formula
    C24H48O6

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

    Safety labels

  • Odor profile

    Fragrance
    Waxy 58.72%
    Fatty 50.79%
    Oily 41.2%
    Odorless 40.88%
    Alcoholic 23.51%
    Buttery 22.98%
    Sweet 22.86%
    Creamy 21.53%
    Milky 19.04%
    Clean 18.2%

     

    Flavor
    Waxy 47.97%
    Fatty 39.76%
    Mild 39.6%
    Odorless 35.1%
    Bland 34.6%
    Oily 34.32%
    Faint 25.14%
    Soapy 24.91%
    Sweet 24.13%
    Slightly waxy 23.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.18 (neutral)

    Molecular weight
    432.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    641°C

    Flash point

    • 233.19 ˚C est.

  • Synonyms

    • 3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl stearate
    • 66168-54-5
    • DTXSID10984645
    • 3-(2,3-DIHYDROXYPROPOXY)-2-HYDROXYPROPYL OCTADECANOATE
    • RefChem:1066423
    • DTXCID501411857
    • 266-209-6
    • 79777-30-3
    • [3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] octadecanoate
    • Diglyceryl stearate
    • EINECS 266-209-6
    • 253MC0P0YV
    • diglycerin monostearate
    • Stearic acid, monoester with oxybis(propanediol)
    • Octadecanoic acid, monoester with diglycerol
    • HOSTACERIN DGMS
    • NIKKOL DGMS
    • BOTANIMULSE DGMS
    • DG-MS
    • E3XK1VOF1Y
    • SUNSOFT Q-18D
    • UNII-253MC0P0YV
    • orb1695631
    • DIGLYCERIN S MONOSTEARATE
    • SCHEMBL21628057
    • CHEBI:189173
    • DUUKZBGYNMHUHO-UHFFFAOYSA-N
    • EINECS 235-777-7
    • AKOS030539413
    • NS00054651
    • Q27896481
    • 9-Octadecanoic acid, monoester with oxybis(propanediol)
    • STEARIC ACID, ESTER WITH 3,3'-OXYDI-1,2-PROPANEDIOL
    • 79777-30-3

  • Applications

    3-(2,3-Dihydroxypropoxy)-2-hydroxypropyl octadecanoate (CAS 66168-54-5) is typically used as a non-ionic surfactant and emollient in cosmetics and personal care formulations; it can function as a conditioning agent and help disperse oils and active ingredients. In polymers and plastics, it may act as a plasticizer or processing aid, improving flexibility and compatibility with lipophilic components. In coatings and inks, it serves as an emulsifier/surfactant to stabilize pigment dispersions and improve wetting and leveling. In household cleaning products, it is used as a surfactant to enhance cleaning performance and soil removal. In industrial manufacturing, it can serve as a lubricant additive or processing aid, reducing friction and aiding formulation of lipid-containing systems. It may also be evaluated as an excipient or carrier in pharmaceutical or topical formulations, providing emolliency or lipid-based delivery properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.4
    methanol 6.02
    isopropanol 1.68
    water 0.41
    ethyl acetate 7.88
    n-propanol 3.01
    acetone 10.63
    n-butanol 2.84
    acetonitrile 3.32
    DMF 38.27
    toluene 4.15
    isobutanol 2.74
    1,4-dioxane 15.39
    methyl acetate 8.77
    THF 47.76
    2-butanone 11.84
    n-pentanol 3.73
    sec-butanol 3.26
    n-hexane 0.67
    ethylene glycol 1.37
    NMP 119.8
    cyclohexane 2.85
    DMSO 101.36
    n-butyl acetate 9.56
    n-octanol 7.74
    chloroform 31.14
    n-propyl acetate 12.52
    acetic acid 19.28
    dichloromethane 32.55
    cyclohexanone 46.82
    propylene glycol 2.58
    isopropyl acetate 8.76
    DMAc 90.9
    2-ethoxyethanol 15.87
    isopentanol 3.85
    n-heptane 1.05
    ethyl formate 8.2
    1,2-dichloroethane 21.32
    n-hexanol 3.05
    2-methoxyethanol 15.58
    isobutyl acetate 8.87
    tetrachloromethane 8.45
    n-pentyl acetate 25.09
    transcutol 98.93
    n-heptanol 6.66
    ethylbenzene 4.08
    MIBK 10.3
    2-propoxyethanol 12.6
    tert-butanol 4.59
    MTBE 6.2
    2-butoxyethanol 24.96
    propionic acid 11.32
    o-xylene 6.57
    formic acid 10.95
    diethyl ether 3.11
    m-xylene 4.2
    p-xylene 5.67
    chlorobenzene 7.12
    dimethyl carbonate 9.32
    n-octane 0.84
    formamide 16.94
    cyclopentanone 51.82
    2-pentanone 10.01
    anisole 8.54
    cyclopentyl methyl ether 22.43
    gamma-butyrolactone 59.48
    1-methoxy-2-propanol 14.91
    pyridine 16.04
    3-pentanone 11.2
    furfural 50.57
    n-dodecane 0.56
    diethylene glycol 9.31
    diisopropyl ether 2.47
    tert-amyl alcohol 7.11
    acetylacetone 24.06
    n-hexadecane 0.66
    acetophenone 19.22
    methyl propionate 11.37
    isopentyl acetate 11.7
    trichloroethylene 45.05
    n-nonanol 8.19
    cyclohexanol 10.36
    benzyl alcohol 8.19
    2-ethylhexanol 4.48
    isooctanol 7.15
    dipropyl ether 6.29
    1,2-dichlorobenzene 12.17
    ethyl lactate 13.76
    propylene carbonate 33.64
    n-methylformamide 13.76
    2-pentanol 2.57
    n-pentane 0.43
    1-propoxy-2-propanol 14.25
    1-methoxy-2-propyl acetate 18.44
    2-(2-methoxypropoxy) propanol 27.76
    mesitylene 3.72
    ε-caprolactone 47.74
    p-cymene 4.28
    epichlorohydrin 43.02
    1,1,1-trichloroethane 21.62
    2-aminoethanol 3.15
    morpholine-4-carbaldehyde 62.94
    sulfolane 179.57
    2,2,4-trimethylpentane 1.02
    2-methyltetrahydrofuran 23.16
    n-hexyl acetate 24.62
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 35.64
    sec-butyl acetate 10.49
    tert-butyl acetate 18.9
    decalin 2.09
    glycerin 8.23
    diglyme 82.1
    acrylic acid 11.56
    isopropyl myristate 7.55
    n-butyric acid 15.28
    acetyl acetate 11.05
    di(2-ethylhexyl) phthalate 10.44
    ethyl propionate 11.26
    nitromethane 37.55
    1,2-diethoxyethane 18.96
    benzonitrile 8.74
    trioctyl phosphate 8.02
    1-bromopropane 6.52
    gamma-valerolactone 83.74
    n-decanol 5.11
    triethyl phosphate 15.42
    4-methyl-2-pentanol 2.79
    propionitrile 3.46
    vinylene carbonate 27.49
    1,1,2-trichlorotrifluoroethane 66.75
    DMS 16.81
    cumene 4.05
    2-octanol 5.83
    2-hexanone 12.37
    octyl acetate 10.72
    limonene 6.79
    1,2-dimethoxyethane 30.92
    ethyl orthosilicate 14.51
    tributyl phosphate 10.39
    diacetone alcohol 26.67
    N,N-dimethylaniline 10.92
    acrylonitrile 5.43
    aniline 6.08
    1,3-propanediol 4.54
    bromobenzene 7.61
    dibromomethane 16.61
    1,1,2,2-tetrachloroethane 52.18
    2-methyl-cyclohexyl acetate 17.33
    tetrabutyl urea 16.62
    diisobutyl methanol 3.9
    2-phenylethanol 7.25
    styrene 3.95
    dioctyl adipate 18.04
    dimethyl sulfate 38.25
    ethyl butyrate 13.17
    methyl lactate 14.11
    butyl lactate 27.4
    diethyl carbonate 9.4
    propanediol butyl ether 24.86
    triethyl orthoformate 17.1
    p-tert-butyltoluene 4.39
    methyl 4-tert-butylbenzoate 34.22
    morpholine 22.91
    tert-butylamine 2.77
    n-dodecanol 3.43
    dimethoxymethane 15.63
    ethylene carbonate 22.9
    cyrene 39.79
    2-ethoxyethyl acetate 33.5
    2-ethylhexyl acetate 10.45
    1,2,4-trichlorobenzene 17.6
    4-methylpyridine 12.64
    dibutyl ether 10.26
    2,6-dimethyl-4-heptanol 3.9
    DEF 25.38
    dimethyl isosorbide 57.84
    tetrachloroethylene 35.02
    eugenol 29.05
    triacetin 47.3
    span 80 24.11
    1,4-butanediol 3.15
    1,1-dichloroethane 12.04
    2-methyl-1-pentanol 5.18
    methyl formate 11.19
    2-methyl-1-butanol 4.37
    n-decane 1.3
    butyronitrile 3.5
    3,7-dimethyl-1-octanol 7.3
    1-chlorooctane 6.28
    1-chlorotetradecane 1.84
    n-nonane 1.18
    undecane 0.8
    tert-butylcyclohexane 1.45
    cyclooctane 1.19
    cyclopentanol 11.27
    tetrahydropyran 16.05
    tert-amyl methyl ether 9.36
    2,5,8-trioxanonane 49.76
    1-hexene 1.81
    2-isopropoxyethanol 12.85
    2,2,2-trifluoroethanol 16.29
    methyl butyrate 18.45

    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