Dicetyl Ether

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  • Identifiers

    CAS number
    4113-12-6

    Molecular formula
    C32H66O

    SMILES
    CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 70.62%
    Fatty 51.98%
    Oily 46.56%
    Fruity 28.03%
    Odorless 24.7%
    Clean 23.17%
    Fresh 21.82%
    Sweet 20.86%
    Balsamic 19.13%
    Meaty 18.08%

     

    Flavor
    Waxy 57.92%
    Alkane 44.65%
    Mild 33.75%
    Fatty 29.21%
    Bland 27.91%
    Wax 25.25%
    Fat 25.03%
    Slightly waxy 24.11%
    Flower 23.29%
    Delicate 23.25%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.6

    pKa est.
    8.65 (weak base)

    Molecular weight
    466.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    538°C

    Flash point

    • 240.62 ˚C est.

  • Synonyms

    • Dihexadecyl ether
    • Hexadecyl ether
    • Dicetyl ether
    • BZ3TC4IWYY
    • UNII-BZ3TC4IWYY
    • NSC-77143
    • COSMACOL ETHER 16
    • DTXSID30194067
    • EINECS 223-900-7
    • NSC 77143
    • HEXADECANE, 1-(HEXADECYLOXY)-
    • RefChem:132998
    • DICETYL ETHER [INCI]
    • DTXCID40116558
    • FDCJDKXCCYFOCV-UHFFFAOYSA-N
    • N-HEXADECYL ETHER
    • 4113-12-6
    • 1-hexadecoxyhexadecane
    • 1-(Hexadecyloxy)hexadecane
    • Hexadecane, 1,1'-oxybis-
    • MFCD00026650
    • hexadecylether
    • Hexadecane,1'-oxybis-
    • SCHEMBL93514
    • 1-(Hexadecyloxy)hexadecane #
    • NSC77143
    • AKOS024428999
    • AS-56890
    • SY053946
    • CS-0452243
    • H0075
    • NS00048153
    • D90795
    • Q27274979
    • 4113-12-6

  • Applications

    Dicetyl ether (CAS 4113-12-6) is a long-chain dialkyl ether commonly used as a processing aid in industrial manufacturing, acting as a non-polar solvent and lubricant for waxes, oils, and resins; it is also employed as a plasticizer or softener in polymer and rubber formulations to adjust rheology and flexibility; in coatings, inks, and cosmetics it can function as a wax-like additive that influences texture, slip, and gloss; in cosmetics and personal care products it may serve as an emollient or conditioning agent; and in cleaning or household formulations it can be used as a non-polar solvent component to help formulate stable systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.46
    methanol 3.94
    isopropanol 6.07
    water 0.05
    ethyl acetate 131.72
    n-propanol 10.09
    acetone 45.86
    n-butanol 15.27
    acetonitrile 13.99
    DMF 52.1
    toluene 56.5
    isobutanol 14.27
    1,4-dioxane 133.04
    methyl acetate 66.14
    THF 316.42
    2-butanone 84.86
    n-pentanol 15.42
    sec-butanol 17.11
    n-hexane 35.18
    ethylene glycol 0.69
    NMP 322.84
    cyclohexane 208.98
    DMSO 94.55
    n-butyl acetate 217.95
    n-octanol 52.53
    chloroform 485.87
    n-propyl acetate 182.78
    acetic acid 25.18
    dichloromethane 445.57
    cyclohexanone 401.62
    propylene glycol 2.0
    isopropyl acetate 162.92
    DMAc 181.4
    2-ethoxyethanol 34.18
    isopentanol 28.18
    n-heptane 84.25
    ethyl formate 41.91
    1,2-dichloroethane 255.33
    n-hexanol 20.13
    2-methoxyethanol 26.16
    isobutyl acetate 144.86
    tetrachloromethane 177.09
    n-pentyl acetate 389.64
    transcutol 346.19
    n-heptanol 41.78
    ethylbenzene 60.87
    MIBK 135.4
    2-propoxyethanol 47.29
    tert-butanol 21.85
    MTBE 91.65
    2-butoxyethanol 94.32
    propionic acid 30.69
    o-xylene 76.84
    formic acid 4.15
    diethyl ether 64.28
    m-xylene 56.38
    p-xylene 92.43
    chlorobenzene 118.67
    dimethyl carbonate 35.5
    n-octane 38.38
    formamide 8.0
    cyclopentanone 329.74
    2-pentanone 106.09
    anisole 104.2
    cyclopentyl methyl ether 291.98
    gamma-butyrolactone 317.12
    1-methoxy-2-propanol 37.26
    pyridine 123.57
    3-pentanone 126.42
    furfural 194.97
    n-dodecane 15.49
    diethylene glycol 13.49
    diisopropyl ether 75.26
    tert-amyl alcohol 43.31
    acetylacetone 182.88
    n-hexadecane 19.75
    acetophenone 155.21
    methyl propionate 90.91
    isopentyl acetate 257.98
    trichloroethylene 460.79
    n-nonanol 62.39
    cyclohexanol 79.51
    benzyl alcohol 35.28
    2-ethylhexanol 58.75
    isooctanol 61.38
    dipropyl ether 230.99
    1,2-dichlorobenzene 190.59
    ethyl lactate 59.42
    propylene carbonate 223.74
    n-methylformamide 17.56
    2-pentanol 20.6
    n-pentane 18.74
    1-propoxy-2-propanol 87.96
    1-methoxy-2-propyl acetate 201.76
    2-(2-methoxypropoxy) propanol 114.73
    mesitylene 65.24
    ε-caprolactone 390.18
    p-cymene 99.02
    epichlorohydrin 300.54
    1,1,1-trichloroethane 449.23
    2-aminoethanol 2.87
    morpholine-4-carbaldehyde 177.79
    sulfolane 613.53
    2,2,4-trimethylpentane 35.73
    2-methyltetrahydrofuran 305.17
    n-hexyl acetate 308.94
    isooctane 18.64
    2-(2-butoxyethoxy)ethanol 123.92
    sec-butyl acetate 194.76
    tert-butyl acetate 288.41
    decalin 78.73
    glycerin 5.01
    diglyme 420.79
    acrylic acid 20.67
    isopropyl myristate 131.41
    n-butyric acid 83.97
    acetyl acetate 130.94
    di(2-ethylhexyl) phthalate 72.11
    ethyl propionate 190.14
    nitromethane 66.66
    1,2-diethoxyethane 279.33
    benzonitrile 58.21
    trioctyl phosphate 60.0
    1-bromopropane 164.46
    gamma-valerolactone 376.09
    n-decanol 38.85
    triethyl phosphate 217.4
    4-methyl-2-pentanol 25.42
    propionitrile 23.06
    vinylene carbonate 153.37
    1,1,2-trichlorotrifluoroethane 194.18
    DMS 133.2
    cumene 58.35
    2-octanol 50.4
    2-hexanone 134.28
    octyl acetate 130.22
    limonene 192.57
    1,2-dimethoxyethane 162.16
    ethyl orthosilicate 230.07
    tributyl phosphate 93.45
    diacetone alcohol 141.09
    N,N-dimethylaniline 97.45
    acrylonitrile 20.34
    aniline 42.94
    1,3-propanediol 7.73
    bromobenzene 176.29
    dibromomethane 303.98
    1,1,2,2-tetrachloroethane 505.42
    2-methyl-cyclohexyl acetate 297.24
    tetrabutyl urea 140.16
    diisobutyl methanol 77.65
    2-phenylethanol 41.68
    styrene 61.11
    dioctyl adipate 198.82
    dimethyl sulfate 108.86
    ethyl butyrate 335.83
    methyl lactate 31.82
    butyl lactate 168.77
    diethyl carbonate 186.08
    propanediol butyl ether 54.11
    triethyl orthoformate 349.13
    p-tert-butyltoluene 91.26
    methyl 4-tert-butylbenzoate 245.55
    morpholine 135.41
    tert-butylamine 21.39
    n-dodecanol 28.29
    dimethoxymethane 58.69
    ethylene carbonate 157.65
    cyrene 125.2
    2-ethoxyethyl acetate 303.99
    2-ethylhexyl acetate 273.59
    1,2,4-trichlorobenzene 232.19
    4-methylpyridine 120.38
    dibutyl ether 276.41
    2,6-dimethyl-4-heptanol 77.65
    DEF 167.06
    dimethyl isosorbide 366.25
    tetrachloroethylene 322.12
    eugenol 130.57
    triacetin 334.1
    span 80 109.54
    1,4-butanediol 4.2
    1,1-dichloroethane 202.25
    2-methyl-1-pentanol 30.36
    methyl formate 17.58
    2-methyl-1-butanol 27.62
    n-decane 42.11
    butyronitrile 32.61
    3,7-dimethyl-1-octanol 77.11
    1-chlorooctane 134.19
    1-chlorotetradecane 40.23
    n-nonane 43.09
    undecane 23.37
    tert-butylcyclohexane 53.34
    cyclooctane 80.97
    cyclopentanol 63.43
    tetrahydropyran 236.64
    tert-amyl methyl ether 134.25
    2,5,8-trioxanonane 216.67
    1-hexene 45.59
    2-isopropoxyethanol 41.85
    2,2,2-trifluoroethanol 22.32
    methyl butyrate 228.17

    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