1-Dotetracontene

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  • Identifiers

    CAS number
    21807-60-3

    Molecular formula
    C42H84

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.36%
    Fatty 45.03%
    Oily 32.67%
    Odorless 24.74%
    Fishy 18.53%
    Meaty 16.31%
    Savory 14.38%
    Sweet 13.44%
    Burnt 11.99%
    Animal 10.76%

     

    Flavor
    Alkane 50.83%
    Waxy 46.46%
    Bland 26.36%
    Mild 22.11%
    Slightly waxy 20.49%
    Delicate 19.8%
    Faint 19.16%
    Incense 18.44%
    Citrus peel 18.35%
    Oriental 18.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    23.0

    pKa est.
    11.48 (strong base)

    Molecular weight
    589.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    661°C

    Flash point

    • 321.47 ˚C est.

  • Synonyms

    • 1-Dotetracontene
    • 3818Z6PF81
    • UNII-3818Z6PF81
    • 21807-60-3
    • DTXSID50176224
    • RefChem:75659
    • DTXCID5098715
    • dotetracont-1-ene
    • SCHEMBL7908550
    • Q27256720
    • 21807-60-3

  • Applications

    1-Dotetracontene (CAS 21807-60-3) is a long-chain terminal α-olefin that serves as a synthetic feedstock for high-molecular-weight polyolefins and specialty waxes, often after oligomerization or hydrogenation. It is commonly evaluated as a building block for long-chain lubricant base stocks and for lubricant formulations that require high-temperature stability. In coatings and plastics, it can function as a surface-modifying agent or slip additive when suitably functionalized, improving processability and release characteristics. Through hydroformylation or oxidation, it can be converted to long-chain aldehydes or alcohols that serve as intermediates for specialty chemicals and surfactants. Depending on formulation goals, it may also act as a reactive diluent or processing aid in polymer and coating systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.12
    methanol 0.67
    isopropanol 1.58
    water 0.0
    ethyl acetate 42.07
    n-propanol 2.67
    acetone 14.36
    n-butanol 4.47
    acetonitrile 1.99
    DMF 19.78
    toluene 31.88
    isobutanol 3.83
    1,4-dioxane 47.71
    methyl acetate 18.64
    THF 171.58
    2-butanone 29.71
    n-pentanol 4.98
    sec-butanol 4.8
    n-hexane 14.76
    ethylene glycol 0.11
    NMP 147.83
    cyclohexane 66.5
    DMSO 28.98
    n-butyl acetate 81.89
    n-octanol 14.21
    chloroform 143.1
    n-propyl acetate 50.49
    acetic acid 4.93
    dichloromethane 128.05
    cyclohexanone 143.0
    propylene glycol 0.45
    isopropyl acetate 56.89
    DMAc 79.07
    2-ethoxyethanol 9.11
    isopentanol 7.75
    n-heptane 40.3
    ethyl formate 10.63
    1,2-dichloroethane 77.05
    n-hexanol 7.23
    2-methoxyethanol 7.14
    isobutyl acetate 45.96
    tetrachloromethane 50.3
    n-pentyl acetate 119.41
    transcutol 109.31
    n-heptanol 12.14
    ethylbenzene 24.74
    MIBK 48.89
    2-propoxyethanol 16.05
    tert-butanol 6.02
    MTBE 37.41
    2-butoxyethanol 26.77
    propionic acid 6.73
    o-xylene 37.2
    formic acid 0.64
    diethyl ether 23.18
    m-xylene 29.79
    p-xylene 35.55
    chlorobenzene 51.05
    dimethyl carbonate 14.68
    n-octane 16.53
    formamide 1.25
    cyclopentanone 142.39
    2-pentanone 39.69
    anisole 42.65
    cyclopentyl methyl ether 141.15
    gamma-butyrolactone 118.26
    1-methoxy-2-propanol 11.72
    pyridine 47.41
    3-pentanone 50.94
    furfural 66.07
    n-dodecane 6.2
    diethylene glycol 3.38
    diisopropyl ether 31.1
    tert-amyl alcohol 14.05
    acetylacetone 67.83
    n-hexadecane 8.01
    acetophenone 54.26
    methyl propionate 33.3
    isopentyl acetate 103.51
    trichloroethylene 153.31
    n-nonanol 18.99
    cyclohexanol 22.58
    benzyl alcohol 11.0
    2-ethylhexanol 22.44
    isooctanol 18.47
    dipropyl ether 110.14
    1,2-dichlorobenzene 76.64
    ethyl lactate 16.25
    propylene carbonate 82.41
    n-methylformamide 4.08
    2-pentanol 6.59
    n-pentane 7.99
    1-propoxy-2-propanol 32.78
    1-methoxy-2-propyl acetate 90.65
    2-(2-methoxypropoxy) propanol 44.9
    mesitylene 31.91
    ε-caprolactone 142.33
    p-cymene 44.59
    epichlorohydrin 115.68
    1,1,1-trichloroethane 144.6
    2-aminoethanol 0.54
    morpholine-4-carbaldehyde 70.98
    sulfolane 250.0
    2,2,4-trimethylpentane 16.93
    2-methyltetrahydrofuran 137.1
    n-hexyl acetate 98.43
    isooctane 8.67
    2-(2-butoxyethoxy)ethanol 43.57
    sec-butyl acetate 63.5
    tert-butyl acetate 117.19
    decalin 34.58
    glycerin 1.14
    diglyme 147.46
    acrylic acid 4.3
    isopropyl myristate 52.48
    n-butyric acid 21.81
    acetyl acetate 40.91
    di(2-ethylhexyl) phthalate 25.57
    ethyl propionate 60.68
    nitromethane 13.68
    1,2-diethoxyethane 107.35
    benzonitrile 16.6
    trioctyl phosphate 21.49
    1-bromopropane 59.66
    gamma-valerolactone 142.7
    n-decanol 12.04
    triethyl phosphate 93.29
    4-methyl-2-pentanol 8.8
    propionitrile 4.96
    vinylene carbonate 48.53
    1,1,2-trichlorotrifluoroethane 64.77
    DMS 51.9
    cumene 23.56
    2-octanol 14.77
    2-hexanone 44.9
    octyl acetate 45.19
    limonene 95.62
    1,2-dimethoxyethane 51.24
    ethyl orthosilicate 104.46
    tributyl phosphate 33.14
    diacetone alcohol 49.6
    N,N-dimethylaniline 44.97
    acrylonitrile 4.14
    aniline 17.35
    1,3-propanediol 1.72
    bromobenzene 80.54
    dibromomethane 88.29
    1,1,2,2-tetrachloroethane 187.36
    2-methyl-cyclohexyl acetate 122.16
    tetrabutyl urea 53.06
    diisobutyl methanol 32.59
    2-phenylethanol 14.42
    styrene 25.21
    dioctyl adipate 75.86
    dimethyl sulfate 47.39
    ethyl butyrate 134.6
    methyl lactate 10.67
    butyl lactate 51.49
    diethyl carbonate 69.78
    propanediol butyl ether 14.26
    triethyl orthoformate 153.5
    p-tert-butyltoluene 45.81
    methyl 4-tert-butylbenzoate 99.12
    morpholine 49.46
    tert-butylamine 6.25
    n-dodecanol 8.95
    dimethoxymethane 25.79
    ethylene carbonate 48.86
    cyrene 49.51
    2-ethoxyethyl acetate 102.53
    2-ethylhexyl acetate 116.45
    1,2,4-trichlorobenzene 96.67
    4-methylpyridine 51.35
    dibutyl ether 113.43
    2,6-dimethyl-4-heptanol 32.59
    DEF 63.49
    dimethyl isosorbide 182.74
    tetrachloroethylene 99.3
    eugenol 44.51
    triacetin 108.59
    span 80 40.71
    1,4-butanediol 0.86
    1,1-dichloroethane 59.35
    2-methyl-1-pentanol 9.81
    methyl formate 4.55
    2-methyl-1-butanol 8.46
    n-decane 17.83
    butyronitrile 8.09
    3,7-dimethyl-1-octanol 26.13
    1-chlorooctane 49.01
    1-chlorotetradecane 15.33
    n-nonane 17.92
    undecane 9.54
    tert-butylcyclohexane 25.93
    cyclooctane 34.74
    cyclopentanol 19.15
    tetrahydropyran 94.74
    tert-amyl methyl ether 61.21
    2,5,8-trioxanonane 86.27
    1-hexene 18.53
    2-isopropoxyethanol 11.75
    2,2,2-trifluoroethanol 3.86
    methyl butyrate 69.53

    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