3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol

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  • Identifiers

    CAS number
    94159-75-8

    Molecular formula
    C38H78O13

    SMILES
    CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 36.81%
    Alcoholic 34.88%
    Waxy 21.87%
    Fresh 21.85%
    Oily 21.21%
    Ethereal 19.1%
    Sweet 18.83%
    Fishy 18.46%
    Clean 16.6%
    Fruity 14.35%

     

    Flavor
    Waxy 34.85%
    Sweet 34.05%
    Fatty 33.01%
    Mushroom 28.61%
    Green 27.82%
    Earthy 27.63%
    Oily 27.14%
    Musty 25.47%
    Vegetable 24.73%
    Odorless 23.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    5.57 (weak acid)

    Molecular weight
    743.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1546°C

    Flash point

    • 290.61 ˚C est.

  • Synonyms

    • 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol
    • 94159-75-8
    • DTXSID20240885
    • RefChem:91668
    • DTXCID50163376
    • CAYQUDJGOSZBKU-UHFFFAOYSA-N
    • NS00040195
    • 94159-75-8

  • Applications

    3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxapentacontan-1-ol (CAS 94159-75-8) is a high-molecular-weight polyether alcohol that, in industrial formulations, is commonly used as a nonionic surfactant and emulsifier due to its long polyoxyethylene chain. It also serves as a wetting agent and dispersant in coatings and inks, aiding pigment stabilization and flow. In cosmetics and personal care, it may function as an emollient and as an emulsifier/stabilizer for cosmetic emulsions. In household products, it can act as a surfactant and co-solvent for cleaning formulations. In polymers/plastics, it may act as a processing aid or lubricant, helping processing and end-use properties. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.95
    methanol 1.68
    isopropanol 0.65
    water 0.13
    ethyl acetate 10.86
    n-propanol 1.54
    acetone 6.41
    n-butanol 1.35
    acetonitrile 2.95
    DMF 22.84
    toluene 6.84
    isobutanol 1.21
    1,4-dioxane 13.07
    methyl acetate 9.78
    THF 24.87
    2-butanone 10.28
    n-pentanol 1.43
    sec-butanol 1.59
    n-hexane 0.63
    ethylene glycol 0.59
    NMP 113.52
    cyclohexane 2.66
    DMSO 39.19
    n-butyl acetate 7.95
    n-octanol 2.36
    chloroform 45.96
    n-propyl acetate 8.94
    acetic acid 11.49
    dichloromethane 53.18
    cyclohexanone 31.32
    propylene glycol 0.9
    isopropyl acetate 7.41
    DMAc 58.73
    2-ethoxyethanol 6.53
    isopentanol 1.33
    n-heptane 1.14
    ethyl formate 7.44
    1,2-dichloroethane 24.48
    n-hexanol 1.16
    2-methoxyethanol 6.46
    isobutyl acetate 4.63
    tetrachloromethane 9.41
    n-pentyl acetate 11.34
    transcutol 31.75
    n-heptanol 2.01
    ethylbenzene 3.78
    MIBK 4.7
    2-propoxyethanol 5.74
    tert-butanol 1.01
    MTBE 3.33
    2-butoxyethanol 7.73
    propionic acid 7.96
    o-xylene 6.91
    formic acid 5.82
    diethyl ether 3.5
    m-xylene 4.61
    p-xylene 4.34
    chlorobenzene 10.81
    dimethyl carbonate 9.28
    n-octane 0.61
    formamide 9.6
    cyclopentanone 38.43
    2-pentanone 7.73
    anisole 7.34
    cyclopentyl methyl ether 17.57
    gamma-butyrolactone 51.22
    1-methoxy-2-propanol 5.35
    pyridine 19.59
    3-pentanone 12.02
    furfural 48.76
    n-dodecane 0.37
    diethylene glycol 3.09
    diisopropyl ether 1.62
    tert-amyl alcohol 2.64
    acetylacetone 16.7
    n-hexadecane 0.44
    acetophenone 14.63
    methyl propionate 12.76
    isopentyl acetate 6.93
    trichloroethylene 62.07
    n-nonanol 2.71
    cyclohexanol 4.75
    benzyl alcohol 5.4
    2-ethylhexanol 1.97
    isooctanol 2.01
    dipropyl ether 5.47
    1,2-dichlorobenzene 16.76
    ethyl lactate 7.65
    propylene carbonate 26.42
    n-methylformamide 9.91
    2-pentanol 1.19
    n-pentane 0.48
    1-propoxy-2-propanol 6.27
    1-methoxy-2-propyl acetate 12.91
    2-(2-methoxypropoxy) propanol 11.89
    mesitylene 3.11
    ε-caprolactone 37.29
    p-cymene 3.42
    epichlorohydrin 42.0
    1,1,1-trichloroethane 22.4
    2-aminoethanol 1.35
    morpholine-4-carbaldehyde 45.48
    sulfolane 128.59
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 18.69
    n-hexyl acetate 10.23
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 11.14
    sec-butyl acetate 7.15
    tert-butyl acetate 9.42
    decalin 1.74
    glycerin 2.68
    diglyme 34.92
    acrylic acid 9.79
    isopropyl myristate 3.75
    n-butyric acid 9.43
    acetyl acetate 13.15
    di(2-ethylhexyl) phthalate 4.63
    ethyl propionate 10.78
    nitromethane 29.67
    1,2-diethoxyethane 11.46
    benzonitrile 6.94
    trioctyl phosphate 3.24
    1-bromopropane 8.86
    gamma-valerolactone 57.43
    n-decanol 1.73
    triethyl phosphate 13.06
    4-methyl-2-pentanol 0.88
    propionitrile 3.1
    vinylene carbonate 26.43
    1,1,2-trichlorotrifluoroethane 54.73
    DMS 13.19
    cumene 2.7
    2-octanol 1.73
    2-hexanone 6.71
    octyl acetate 5.19
    limonene 6.0
    1,2-dimethoxyethane 14.29
    ethyl orthosilicate 11.45
    tributyl phosphate 4.82
    diacetone alcohol 8.78
    N,N-dimethylaniline 7.82
    acrylonitrile 5.1
    aniline 6.41
    1,3-propanediol 1.62
    bromobenzene 14.36
    dibromomethane 25.81
    1,1,2,2-tetrachloroethane 59.82
    2-methyl-cyclohexyl acetate 11.21
    tetrabutyl urea 8.31
    diisobutyl methanol 1.45
    2-phenylethanol 3.64
    styrene 4.18
    dioctyl adipate 9.22
    dimethyl sulfate 39.27
    ethyl butyrate 12.13
    methyl lactate 8.84
    butyl lactate 9.31
    diethyl carbonate 8.38
    propanediol butyl ether 5.49
    triethyl orthoformate 14.21
    p-tert-butyltoluene 3.18
    methyl 4-tert-butylbenzoate 17.34
    morpholine 15.79
    tert-butylamine 0.73
    n-dodecanol 1.21
    dimethoxymethane 10.61
    ethylene carbonate 19.85
    cyrene 24.43
    2-ethoxyethyl acetate 18.24
    2-ethylhexyl acetate 7.61
    1,2,4-trichlorobenzene 25.62
    4-methylpyridine 14.78
    dibutyl ether 5.31
    2,6-dimethyl-4-heptanol 1.45
    DEF 19.4
    dimethyl isosorbide 30.71
    tetrachloroethylene 35.22
    eugenol 12.1
    triacetin 25.65
    span 80 9.11
    1,4-butanediol 1.01
    1,1-dichloroethane 12.62
    2-methyl-1-pentanol 1.9
    methyl formate 9.4
    2-methyl-1-butanol 1.94
    n-decane 0.86
    butyronitrile 2.55
    3,7-dimethyl-1-octanol 2.28
    1-chlorooctane 3.74
    1-chlorotetradecane 1.22
    n-nonane 0.77
    undecane 0.52
    tert-butylcyclohexane 0.92
    cyclooctane 1.38
    cyclopentanol 5.68
    tetrahydropyran 12.33
    tert-amyl methyl ether 6.17
    2,5,8-trioxanonane 20.96
    1-hexene 1.48
    2-isopropoxyethanol 4.77
    2,2,2-trifluoroethanol 11.22
    methyl butyrate 13.5

    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