Acetomonostearin

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  • Identifiers

    CAS number
    27177-85-1

    Molecular formula
    C23H44O5

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.82%
    Waxy 63.26%
    Oily 46.44%
    Odorless 37.42%
    Creamy 31.35%
    Buttery 29.3%
    Sweet 28.31%
    Milky 24.58%
    Dairy 24.0%
    Peach 21.0%

     

    Flavor
    Waxy 62.58%
    Oily 47.36%
    Fatty 44.31%
    Mild 43.35%
    Soapy 37.48%
    Creamy 33.95%
    Fruity 32.19%
    Bland 30.57%
    Sweet 30.46%
    Coconut 27.39%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.8

    pKa est.
    7.74 (neutral)

    Molecular weight
    400.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    478°C

    Flash point

    • 203.24 ˚C est.

  • Synonyms

    • Acetostearin
    • Acetomonostearin
    • Stearin, aceto-
    • Glycerol monoacetate monostearate
    • MC9K8A77CZ
    • 27177-85-1
    • DTXSID90310761
    • 1,2,3-Propanetriol monoacetate monoctadecanoate
    • Octdecanoic acid, monester with 1,2,3-propanetriol monoacetate
    • Octadecanoic acid, monoester with 1,2,3-propanetriol monoacetate
    • RefChem:552381
    • DTXCID10261887
    • DTXSID101071829
    • 1-Acetyl-3-monostearin
    • 820-17-7
    • (3-acetyloxy-2-hydroxypropyl) octadecanoate
    • Stearin, 3-aceto-1-
    • NSC-231586
    • 3-(ACETYLOXY)-2-HYDROXYPROPYL OCTADECANOATE
    • O8373Z776S
    • Octadecanoic acid, 3-(acetyloxy)-2-hydroxypropyl ester
    • UNII-MC9K8A77CZ
    • NSC231586
    • SCHEMBL19244075
    • UNII-O8373Z776S
    • CHEBI:172640
    • RGGBUUSHDAWGIN-UHFFFAOYSA-N
    • 3-Acetoxy-2-hydroxypropyl stearate
    • Q27285460
    • 27177-85-1

  • Applications

    Acetomonostearin (CAS 27177-85-1) is a fatty ester derivative primarily used as an emulsifier and emollient in cosmetics and personal care; it can also act as a processing aid and plasticizer in plastic and polymer production; it is used as a lubricant and stabilizer in coatings and inks systems; it finds use in household and cleaning formulations as an emulsifier or softening agent; and it may serve as an intermediate in chemical synthesis and resin production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.33
    methanol 7.37
    isopropanol 3.28
    water 0.12
    ethyl acetate 24.9
    n-propanol 4.55
    acetone 28.53
    n-butanol 4.27
    acetonitrile 10.62
    DMF 77.91
    toluene 10.73
    isobutanol 4.73
    1,4-dioxane 35.95
    methyl acetate 24.71
    THF 115.91
    2-butanone 31.23
    n-pentanol 6.16
    sec-butanol 6.13
    n-hexane 1.66
    ethylene glycol 1.15
    NMP 227.6
    cyclohexane 6.07
    DMSO 146.07
    n-butyl acetate 25.69
    n-octanol 11.5
    chloroform 107.66
    n-propyl acetate 38.79
    acetic acid 27.52
    dichloromethane 118.03
    cyclohexanone 113.01
    propylene glycol 2.58
    isopropyl acetate 27.02
    DMAc 217.64
    2-ethoxyethanol 26.13
    isopentanol 6.78
    n-heptane 1.61
    ethyl formate 17.51
    1,2-dichloroethane 66.75
    n-hexanol 4.73
    2-methoxyethanol 21.73
    isobutyl acetate 24.54
    tetrachloromethane 21.73
    n-pentyl acetate 56.28
    transcutol 177.22
    n-heptanol 8.97
    ethylbenzene 10.75
    MIBK 26.67
    2-propoxyethanol 21.79
    tert-butanol 10.22
    MTBE 18.67
    2-butoxyethanol 37.44
    propionic acid 17.27
    o-xylene 14.83
    formic acid 9.79
    diethyl ether 8.98
    m-xylene 9.86
    p-xylene 17.86
    chlorobenzene 22.86
    dimethyl carbonate 17.2
    n-octane 1.35
    formamide 18.93
    cyclopentanone 123.38
    2-pentanone 26.23
    anisole 25.01
    cyclopentyl methyl ether 46.16
    gamma-butyrolactone 134.15
    1-methoxy-2-propanol 23.16
    pyridine 42.64
    3-pentanone 30.8
    furfural 108.64
    n-dodecane 0.99
    diethylene glycol 12.01
    diisopropyl ether 6.26
    tert-amyl alcohol 14.59
    acetylacetone 60.98
    n-hexadecane 1.17
    acetophenone 47.1
    methyl propionate 27.19
    isopentyl acetate 28.02
    trichloroethylene 138.24
    n-nonanol 12.37
    cyclohexanol 17.06
    benzyl alcohol 16.55
    2-ethylhexanol 7.12
    isooctanol 10.17
    dipropyl ether 14.55
    1,2-dichlorobenzene 37.17
    ethyl lactate 23.07
    propylene carbonate 76.52
    n-methylformamide 21.75
    2-pentanol 4.22
    n-pentane 0.79
    1-propoxy-2-propanol 24.39
    1-methoxy-2-propyl acetate 38.78
    2-(2-methoxypropoxy) propanol 48.93
    mesitylene 8.69
    ε-caprolactone 103.13
    p-cymene 8.78
    epichlorohydrin 110.72
    1,1,1-trichloroethane 77.58
    2-aminoethanol 3.23
    morpholine-4-carbaldehyde 119.66
    sulfolane 313.69
    2,2,4-trimethylpentane 1.95
    2-methyltetrahydrofuran 59.38
    n-hexyl acetate 55.45
    isooctane 0.83
    2-(2-butoxyethoxy)ethanol 57.92
    sec-butyl acetate 29.97
    tert-butyl acetate 48.02
    decalin 4.41
    glycerin 7.38
    diglyme 150.27
    acrylic acid 16.44
    isopropyl myristate 17.07
    n-butyric acid 26.73
    acetyl acetate 29.0
    di(2-ethylhexyl) phthalate 20.14
    ethyl propionate 33.77
    nitromethane 74.62
    1,2-diethoxyethane 47.19
    benzonitrile 23.01
    trioctyl phosphate 13.16
    1-bromopropane 22.16
    gamma-valerolactone 176.78
    n-decanol 7.72
    triethyl phosphate 29.71
    4-methyl-2-pentanol 5.01
    propionitrile 10.05
    vinylene carbonate 60.61
    1,1,2-trichlorotrifluoroethane 107.72
    DMS 37.04
    cumene 9.77
    2-octanol 8.92
    2-hexanone 34.57
    octyl acetate 22.41
    limonene 13.78
    1,2-dimethoxyethane 77.01
    ethyl orthosilicate 28.19
    tributyl phosphate 19.44
    diacetone alcohol 51.21
    N,N-dimethylaniline 24.34
    acrylonitrile 14.04
    aniline 11.99
    1,3-propanediol 5.19
    bromobenzene 26.82
    dibromomethane 57.95
    1,1,2,2-tetrachloroethane 143.48
    2-methyl-cyclohexyl acetate 37.23
    tetrabutyl urea 33.1
    diisobutyl methanol 6.69
    2-phenylethanol 13.08
    styrene 11.66
    dioctyl adipate 38.4
    dimethyl sulfate 65.33
    ethyl butyrate 32.84
    methyl lactate 19.46
    butyl lactate 44.17
    diethyl carbonate 23.21
    propanediol butyl ether 33.88
    triethyl orthoformate 35.11
    p-tert-butyltoluene 8.43
    methyl 4-tert-butylbenzoate 64.82
    morpholine 46.95
    tert-butylamine 6.53
    n-dodecanol 5.3
    dimethoxymethane 32.76
    ethylene carbonate 50.65
    cyrene 64.16
    2-ethoxyethyl acetate 73.8
    2-ethylhexyl acetate 25.57
    1,2,4-trichlorobenzene 50.92
    4-methylpyridine 38.24
    dibutyl ether 24.88
    2,6-dimethyl-4-heptanol 6.69
    DEF 57.58
    dimethyl isosorbide 118.83
    tetrachloroethylene 89.63
    eugenol 53.22
    triacetin 93.41
    span 80 39.8
    1,4-butanediol 3.81
    1,1-dichloroethane 45.93
    2-methyl-1-pentanol 9.49
    methyl formate 18.57
    2-methyl-1-butanol 7.02
    n-decane 2.28
    butyronitrile 10.27
    3,7-dimethyl-1-octanol 12.32
    1-chlorooctane 12.7
    1-chlorotetradecane 3.85
    n-nonane 2.03
    undecane 1.4
    tert-butylcyclohexane 3.08
    cyclooctane 1.8
    cyclopentanol 19.51
    tetrahydropyran 40.52
    tert-amyl methyl ether 22.63
    2,5,8-trioxanonane 90.78
    1-hexene 4.9
    2-isopropoxyethanol 22.49
    2,2,2-trifluoroethanol 20.65
    methyl butyrate 53.34

    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