2,3,4-Trimethyltriacontane

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  • Identifiers

    CAS number
    87538-96-3

    Molecular formula
    C33H68

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 82.8%
    Fatty 41.52%
    Oily 33.53%
    Odorless 24.65%
    Fishy 19.7%
    Meaty 16.6%
    Savory 15.17%
    Burnt 14.51%
    Balsamic 13.4%
    Animal 13.14%

     

    Flavor
    Alkane 45.69%
    Waxy 40.46%
    Bland 28.0%
    Mild 22.51%
    Delicate 21.22%
    Slightly waxy 20.48%
    Diterpene 18.54%
    Oriental 18.52%
    Low 18.48%
    Incense 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.2

    pKa est.
    7.78 (neutral)

    Molecular weight
    464.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    507°C

    Melting point expt.

    • 58 °C

    Flash point

    • 227.2 ˚C est.

  • Synonyms

    • 2,3,4-trimethyltriacontane
    • 87538-96-3
    • RefChem:81345
    • CHEBI:185354
    • DTXSID201311161
    • 87538-96-3

  • Applications

    2,3,4-Trimethyltriacontane, CAS 87538-96-3, is a high-molecular-weight paraffin hydrocarbon primarily used as a base oil and processing lubricant in industrial manufacturing, particularly in metalworking and plastics processing; it serves as a wax-like component or slip additive in coatings, inks, and polishing products to improve gloss, slip, and formulation stability; it is considered as a non-volatile carrier or plasticizing/softening agent in polymer systems to enhance processability and mechanical properties of films; and due to its high thermal stability and low volatility, it can be used as a base stock or additive in cosmetic formulations as a waxy carrier or texture modifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.71
    methanol 6.28
    isopropanol 21.56
    water 0.02
    ethyl acetate 370.76
    n-propanol 32.35
    acetone 133.97
    n-butanol 52.97
    acetonitrile 22.07
    DMF 120.48
    toluene 226.75
    isobutanol 45.38
    1,4-dioxane 372.73
    methyl acetate 152.17
    THF 954.97
    2-butanone 243.38
    n-pentanol 46.69
    sec-butanol 54.73
    n-hexane 171.4
    ethylene glycol 0.66
    NMP 576.58
    cyclohexane 755.24
    DMSO 139.97
    n-butyl acetate 723.0
    n-octanol 123.94
    chloroform 793.15
    n-propyl acetate 458.66
    acetic acid 34.03
    dichloromethane 722.34
    cyclohexanone 928.62
    propylene glycol 2.83
    isopropyl acetate 507.62
    DMAc 385.34
    2-ethoxyethanol 66.53
    isopentanol 86.75
    n-heptane 429.12
    ethyl formate 88.89
    1,2-dichloroethane 520.12
    n-hexanol 79.83
    2-methoxyethanol 53.88
    isobutyl acetate 435.36
    tetrachloromethane 388.06
    n-pentyl acetate 899.41
    transcutol 613.52
    n-heptanol 119.27
    ethylbenzene 187.71
    MIBK 397.03
    2-propoxyethanol 125.26
    tert-butanol 71.91
    MTBE 369.32
    2-butoxyethanol 197.3
    propionic acid 52.06
    o-xylene 249.12
    formic acid 3.24
    diethyl ether 297.43
    m-xylene 200.03
    p-xylene 283.8
    chlorobenzene 305.87
    dimethyl carbonate 82.55
    n-octane 144.51
    formamide 6.96
    cyclopentanone 769.27
    2-pentanone 331.7
    anisole 279.17
    cyclopentyl methyl ether 923.27
    gamma-butyrolactone 591.87
    1-methoxy-2-propanol 83.59
    pyridine 277.1
    3-pentanone 399.48
    furfural 293.25
    n-dodecane 49.26
    diethylene glycol 23.29
    diisopropyl ether 326.15
    tert-amyl alcohol 136.12
    acetylacetone 443.86
    n-hexadecane 63.69
    acetophenone 320.65
    methyl propionate 243.46
    isopentyl acetate 844.52
    trichloroethylene 823.74
    n-nonanol 157.76
    cyclohexanol 218.08
    benzyl alcohol 77.95
    2-ethylhexanol 216.56
    isooctanol 180.58
    dipropyl ether 962.1
    1,2-dichlorobenzene 404.3
    ethyl lactate 101.35
    propylene carbonate 433.44
    n-methylformamide 27.01
    2-pentanol 74.17
    n-pentane 99.93
    1-propoxy-2-propanol 247.0
    1-methoxy-2-propyl acetate 615.73
    2-(2-methoxypropoxy) propanol 217.93
    mesitylene 217.89
    ε-caprolactone 843.45
    p-cymene 325.5
    epichlorohydrin 589.62
    1,1,1-trichloroethane 996.81
    2-aminoethanol 3.92
    morpholine-4-carbaldehyde 358.18
    sulfolane 944.23
    2,2,4-trimethylpentane 141.99
    2-methyltetrahydrofuran 931.29
    n-hexyl acetate 704.81
    isooctane 82.26
    2-(2-butoxyethoxy)ethanol 251.29
    sec-butyl acetate 565.67
    tert-butyl acetate 862.85
    decalin 266.03
    glycerin 5.85
    diglyme 833.47
    acrylic acid 27.43
    isopropyl myristate 380.87
    n-butyric acid 179.81
    acetyl acetate 293.79
    di(2-ethylhexyl) phthalate 142.71
    ethyl propionate 494.58
    nitromethane 90.29
    1,2-diethoxyethane 739.96
    benzonitrile 115.58
    trioctyl phosphate 138.43
    1-bromopropane 469.14
    gamma-valerolactone 743.39
    n-decanol 103.24
    triethyl phosphate 511.11
    4-methyl-2-pentanol 88.81
    propionitrile 48.81
    vinylene carbonate 261.83
    1,1,2-trichlorotrifluoroethane 268.67
    DMS 298.06
    cumene 171.32
    2-octanol 132.8
    2-hexanone 370.3
    octyl acetate 338.01
    limonene 671.47
    1,2-dimethoxyethane 373.05
    ethyl orthosilicate 576.19
    tributyl phosphate 200.18
    diacetone alcohol 336.97
    N,N-dimethylaniline 263.16
    acrylonitrile 34.52
    aniline 122.27
    1,3-propanediol 15.57
    bromobenzene 457.38
    dibromomethane 540.18
    1,1,2,2-tetrachloroethane 925.93
    2-methyl-cyclohexyl acetate 758.95
    tetrabutyl urea 307.45
    diisobutyl methanol 282.76
    2-phenylethanol 104.65
    styrene 185.37
    dioctyl adipate 447.81
    dimethyl sulfate 204.03
    ethyl butyrate 993.41
    methyl lactate 57.55
    butyl lactate 313.18
    diethyl carbonate 503.19
    propanediol butyl ether 87.19
    triethyl orthoformate 961.39
    p-tert-butyltoluene 329.21
    methyl 4-tert-butylbenzoate 493.59
    morpholine 360.08
    tert-butylamine 78.08
    n-dodecanol 76.61
    dimethoxymethane 169.92
    ethylene carbonate 305.91
    cyrene 199.88
    2-ethoxyethyl acetate 672.74
    2-ethylhexyl acetate 901.01
    1,2,4-trichlorobenzene 448.15
    4-methylpyridine 321.08
    dibutyl ether 799.2
    2,6-dimethyl-4-heptanol 282.76
    DEF 452.62
    dimethyl isosorbide 708.47
    tetrachloroethylene 592.32
    eugenol 212.23
    triacetin 588.45
    span 80 211.07
    1,4-butanediol 6.56
    1,1-dichloroethane 465.07
    2-methyl-1-pentanol 89.58
    methyl formate 28.67
    2-methyl-1-butanol 85.45
    n-decane 137.29
    butyronitrile 85.85
    3,7-dimethyl-1-octanol 219.13
    1-chlorooctane 354.76
    1-chlorotetradecane 115.38
    n-nonane 140.19
    undecane 75.1
    tert-butylcyclohexane 203.03
    cyclooctane 316.96
    cyclopentanol 162.79
    tetrahydropyran 827.1
    tert-amyl methyl ether 484.5
    2,5,8-trioxanonane 430.89
    1-hexene 199.55
    2-isopropoxyethanol 97.23
    2,2,2-trifluoroethanol 23.95
    methyl butyrate 558.79

    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