Tetrapentacontane

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  • Identifiers

    CAS number
    5856-66-6

    Molecular formula
    C54H110

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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  • Odor profile

    Fragrance
    Waxy 86.67%
    Fatty 38.54%
    Oily 28.77%
    Odorless 26.42%
    Fishy 16.31%
    Meaty 12.01%
    Savory 11.63%
    Burnt 10.41%
    Animal 9.31%
    Sweet 9.27%

     

    Flavor
    Alkane 57.65%
    Waxy 50.75%
    Bland 28.47%
    Mild 23.94%
    Slightly waxy 20.14%
    Delicate 19.12%
    Incense 17.83%
    Citrus peel 17.75%
    Bay oil 17.64%
    Beer 17.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    28.8

    pKa est.
    14.81 (strong base)

    Molecular weight
    759.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    727°C

    Flash point

    • 389.86 ˚C est.

  • Synonyms

    • Tetrapentacontane
    • 5856-66-6
    • DTXSID80334754
    • RefChem:384256
    • DTXCID30285843
    • OPRWEYHEIDHWGM-UHFFFAOYSA-N
    • SCHEMBL199830
    • SCHEMBL199831
    • SCHEMBL317619
    • SCHEMBL6680079
    • Tetrapentacontane, analytical standard
    • Q18456231
    • B6255322-7CCE-4C62-994B-16A9B0977AAC
    • 5856-66-6

  • Applications

    Tetrapentacontane (CAS 5856-66-6) is a long-chain saturated hydrocarbon that typically occurs as a waxy solid and is used as a specialty wax and lubricant in various formulations. Real-world applications include: as a waxy thickener/emollient in cosmetics and personal care; as an additive in coatings and inks to adjust hardness, gloss, and slip; as a processing aid and slip/antistick agent in plastics and rubber manufacturing to improve molding and demolding; as a component in industrial lubricants; and as a wax additive for household care products such as polishing waxes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.03
    methanol 0.73
    isopropanol 1.33
    water 0.01
    ethyl acetate 41.05
    n-propanol 2.53
    acetone 13.52
    n-butanol 3.77
    acetonitrile 2.18
    DMF 22.95
    toluene 33.06
    isobutanol 3.45
    1,4-dioxane 47.05
    methyl acetate 19.94
    THF 157.12
    2-butanone 28.56
    n-pentanol 4.41
    sec-butanol 4.14
    n-hexane 10.73
    ethylene glycol 0.14
    NMP 182.01
    cyclohexane 49.42
    DMSO 28.39
    n-butyl acetate 75.53
    n-octanol 12.11
    chloroform 158.51
    n-propyl acetate 46.61
    acetic acid 5.6
    dichloromethane 135.79
    cyclohexanone 140.83
    propylene glycol 0.48
    isopropyl acetate 52.16
    DMAc 88.61
    2-ethoxyethanol 8.56
    isopentanol 6.26
    n-heptane 28.23
    ethyl formate 11.8
    1,2-dichloroethane 75.38
    n-hexanol 6.24
    2-methoxyethanol 6.88
    isobutyl acetate 42.73
    tetrachloromethane 50.92
    n-pentyl acetate 107.24
    transcutol 93.54
    n-heptanol 10.39
    ethylbenzene 22.7
    MIBK 39.77
    2-propoxyethanol 15.36
    tert-butanol 4.57
    MTBE 31.26
    2-butoxyethanol 24.93
    propionic acid 7.97
    o-xylene 35.3
    formic acid 0.88
    diethyl ether 19.29
    m-xylene 28.51
    p-xylene 33.18
    chlorobenzene 57.01
    dimethyl carbonate 17.79
    n-octane 12.16
    formamide 1.65
    cyclopentanone 148.24
    2-pentanone 33.91
    anisole 38.88
    cyclopentyl methyl ether 128.13
    gamma-butyrolactone 136.88
    1-methoxy-2-propanol 10.65
    pyridine 52.55
    3-pentanone 48.58
    furfural 79.85
    n-dodecane 4.86
    diethylene glycol 3.5
    diisopropyl ether 24.04
    tert-amyl alcohol 11.93
    acetylacetone 67.8
    n-hexadecane 6.22
    acetophenone 53.91
    methyl propionate 34.34
    isopentyl acetate 91.09
    trichloroethylene 168.84
    n-nonanol 16.46
    cyclohexanol 20.57
    benzyl alcohol 11.04
    2-ethylhexanol 19.17
    isooctanol 15.42
    dipropyl ether 86.88
    1,2-dichlorobenzene 81.27
    ethyl lactate 17.12
    propylene carbonate 93.81
    n-methylformamide 5.13
    2-pentanol 5.32
    n-pentane 5.82
    1-propoxy-2-propanol 29.01
    1-methoxy-2-propyl acetate 86.6
    2-(2-methoxypropoxy) propanol 40.7
    mesitylene 28.63
    ε-caprolactone 148.81
    p-cymene 39.41
    epichlorohydrin 122.46
    1,1,1-trichloroethane 145.97
    2-aminoethanol 0.61
    morpholine-4-carbaldehyde 82.8
    sulfolane 289.79
    2,2,4-trimethylpentane 13.14
    2-methyltetrahydrofuran 124.44
    n-hexyl acetate 86.16
    isooctane 6.26
    2-(2-butoxyethoxy)ethanol 38.35
    sec-butyl acetate 57.66
    tert-butyl acetate 102.85
    decalin 26.99
    glycerin 1.25
    diglyme 136.03
    acrylic acid 5.44
    isopropyl myristate 44.39
    n-butyric acid 22.38
    acetyl acetate 44.69
    di(2-ethylhexyl) phthalate 24.57
    ethyl propionate 58.21
    nitromethane 16.39
    1,2-diethoxyethane 87.62
    benzonitrile 17.91
    trioctyl phosphate 19.73
    1-bromopropane 51.01
    gamma-valerolactone 161.66
    n-decanol 10.29
    triethyl phosphate 90.86
    4-methyl-2-pentanol 6.78
    propionitrile 5.28
    vinylene carbonate 61.01
    1,1,2-trichlorotrifluoroethane 77.92
    DMS 56.79
    cumene 20.62
    2-octanol 12.68
    2-hexanone 40.08
    octyl acetate 39.73
    limonene 81.5
    1,2-dimethoxyethane 47.64
    ethyl orthosilicate 97.04
    tributyl phosphate 31.22
    diacetone alcohol 43.04
    N,N-dimethylaniline 41.54
    acrylonitrile 4.89
    aniline 17.92
    1,3-propanediol 1.69
    bromobenzene 89.74
    dibromomethane 87.53
    1,1,2,2-tetrachloroethane 195.99
    2-methyl-cyclohexyl acetate 113.16
    tetrabutyl urea 49.21
    diisobutyl methanol 24.58
    2-phenylethanol 13.71
    styrene 24.16
    dioctyl adipate 66.74
    dimethyl sulfate 61.59
    ethyl butyrate 118.8
    methyl lactate 12.29
    butyl lactate 50.52
    diethyl carbonate 67.8
    propanediol butyl ether 13.23
    triethyl orthoformate 138.96
    p-tert-butyltoluene 40.37
    methyl 4-tert-butylbenzoate 94.84
    morpholine 47.67
    tert-butylamine 4.73
    n-dodecanol 7.46
    dimethoxymethane 25.98
    ethylene carbonate 59.1
    cyrene 49.39
    2-ethoxyethyl acetate 100.9
    2-ethylhexyl acetate 102.38
    1,2,4-trichlorobenzene 107.75
    4-methylpyridine 52.37
    dibutyl ether 88.39
    2,6-dimethyl-4-heptanol 24.58
    DEF 62.3
    dimethyl isosorbide 167.37
    tetrachloroethylene 106.29
    eugenol 43.7
    triacetin 109.17
    span 80 35.9
    1,4-butanediol 0.89
    1,1-dichloroethane 57.72
    2-methyl-1-pentanol 8.33
    methyl formate 5.95
    2-methyl-1-butanol 7.19
    n-decane 13.82
    butyronitrile 7.43
    3,7-dimethyl-1-octanol 20.38
    1-chlorooctane 40.5
    1-chlorotetradecane 12.63
    n-nonane 13.5
    undecane 7.42
    tert-butylcyclohexane 20.18
    cyclooctane 26.37
    cyclopentanol 18.39
    tetrahydropyran 83.76
    tert-amyl methyl ether 52.42
    2,5,8-trioxanonane 75.47
    1-hexene 14.89
    2-isopropoxyethanol 10.74
    2,2,2-trifluoroethanol 5.03
    methyl butyrate 66.88

    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