3-Methyltriacontane

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  • Identifiers

    CAS number
    72227-01-1

    Molecular formula
    C31H64

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 85.35%
    Fatty 39.9%
    Oily 31.48%
    Odorless 25.03%
    Fishy 18.05%
    Meaty 15.46%
    Savory 13.86%
    Burnt 12.58%
    Sweet 11.97%
    Animal 11.37%

     

    Flavor
    Alkane 58.75%
    Waxy 49.76%
    Bland 27.64%
    Mild 24.19%
    Slightly waxy 21.01%
    Delicate 20.55%
    Incense 19.0%
    Citrus peel 18.88%
    Bay oil 18.56%
    Beer 18.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    16.7

    pKa est.
    10.01 (weak base)

    Molecular weight
    436.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    500°C

    Flash point

    • 236.63 ˚C est.

  • Synonyms

    • 3-Methyltriacontane
    • Triacontane, 3-methyl-
    • Anteisohentriacontane
    • 72227-01-1
    • DTXSID00561469
    • RefChem:94971
    • DTXCID30512247
    • NXCMTLDSKYDELZ-UHFFFAOYSA-N
    • SCHEMBL5301671
    • SCHEMBL27161397
    • LMFA11000406
    • 72227-01-1

  • Applications

    3-Methyltriacontane (CAS 72227-01-1) is a high-molecular-weight branched alkane used as a non-polar, high-boiling hydrocarbon in specialized formulations. In cosmetics and personal care, it provides emolliency and a wax-like texture as a thickener or conditioning agent. In coatings and inks, it serves as a waxy diluent and rheology modifier to improve slip, gloss, and water resistance. In industrial manufacturing, it functions as a lubricant base oil or processing aid with low volatility at elevated temperatures, helping reduce friction and wear. In polymers and plastics processing, it can act as a wax-like additive to modify processing and mold-release properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.42
    methanol 1.81
    isopropanol 5.84
    water 0.01
    ethyl acetate 136.47
    n-propanol 8.63
    acetone 45.95
    n-butanol 15.54
    acetonitrile 7.26
    DMF 47.42
    toluene 85.87
    isobutanol 13.45
    1,4-dioxane 147.05
    methyl acetate 59.16
    THF 453.61
    2-butanone 91.34
    n-pentanol 14.37
    sec-butanol 16.68
    n-hexane 54.85
    ethylene glycol 0.25
    NMP 297.87
    cyclohexane 293.9
    DMSO 68.69
    n-butyl acetate 297.89
    n-octanol 45.64
    chloroform 396.78
    n-propyl acetate 181.26
    acetic acid 12.19
    dichloromethane 352.46
    cyclohexanone 416.51
    propylene glycol 1.11
    isopropyl acetate 196.85
    DMAc 175.34
    2-ethoxyethanol 24.59
    isopentanol 28.2
    n-heptane 169.42
    ethyl formate 33.52
    1,2-dichloroethane 231.57
    n-hexanol 25.52
    2-methoxyethanol 19.96
    isobutyl acetate 171.95
    tetrachloromethane 164.25
    n-pentyl acetate 368.0
    transcutol 299.38
    n-heptanol 38.73
    ethylbenzene 69.92
    MIBK 163.37
    2-propoxyethanol 47.06
    tert-butanol 24.48
    MTBE 135.07
    2-butoxyethanol 75.5
    propionic acid 19.39
    o-xylene 101.22
    formic acid 1.24
    diethyl ether 88.8
    m-xylene 80.61
    p-xylene 107.87
    chlorobenzene 133.27
    dimethyl carbonate 33.99
    n-octane 58.07
    formamide 2.62
    cyclopentanone 377.78
    2-pentanone 126.37
    anisole 121.61
    cyclopentyl methyl ether 396.83
    gamma-butyrolactone 291.64
    1-methoxy-2-propanol 32.64
    pyridine 124.1
    3-pentanone 151.65
    furfural 156.4
    n-dodecane 21.23
    diethylene glycol 9.17
    diisopropyl ether 119.29
    tert-amyl alcohol 48.23
    acetylacetone 196.99
    n-hexadecane 27.83
    acetophenone 153.11
    methyl propionate 93.95
    isopentyl acetate 369.47
    trichloroethylene 418.61
    n-nonanol 59.22
    cyclohexanol 77.02
    benzyl alcohol 30.0
    2-ethylhexanol 80.38
    isooctanol 61.58
    dipropyl ether 414.18
    1,2-dichlorobenzene 199.61
    ethyl lactate 45.83
    propylene carbonate 215.03
    n-methylformamide 9.6
    2-pentanol 23.39
    n-pentane 29.81
    1-propoxy-2-propanol 105.99
    1-methoxy-2-propyl acetate 277.43
    2-(2-methoxypropoxy) propanol 109.71
    mesitylene 92.08
    ε-caprolactone 379.06
    p-cymene 146.81
    epichlorohydrin 285.74
    1,1,1-trichloroethane 480.73
    2-aminoethanol 1.32
    morpholine-4-carbaldehyde 165.61
    sulfolane 558.57
    2,2,4-trimethylpentane 51.57
    2-methyltetrahydrofuran 403.16
    n-hexyl acetate 300.42
    isooctane 30.82
    2-(2-butoxyethoxy)ethanol 116.53
    sec-butyl acetate 228.94
    tert-butyl acetate 396.78
    decalin 111.48
    glycerin 2.5
    diglyme 412.94
    acrylic acid 11.11
    isopropyl myristate 173.62
    n-butyric acid 67.05
    acetyl acetate 125.24
    di(2-ethylhexyl) phthalate 69.11
    ethyl propionate 197.42
    nitromethane 36.09
    1,2-diethoxyethane 339.08
    benzonitrile 50.41
    trioctyl phosphate 62.15
    1-bromopropane 189.98
    gamma-valerolactone 353.48
    n-decanol 38.61
    triethyl phosphate 275.8
    4-methyl-2-pentanol 30.15
    propionitrile 16.71
    vinylene carbonate 125.95
    1,1,2-trichlorotrifluoroethane 142.18
    DMS 137.72
    cumene 67.25
    2-octanol 47.63
    2-hexanone 148.83
    octyl acetate 145.53
    limonene 314.5
    1,2-dimethoxyethane 160.53
    ethyl orthosilicate 306.35
    tributyl phosphate 97.83
    diacetone alcohol 152.32
    N,N-dimethylaniline 117.68
    acrylonitrile 13.04
    aniline 48.19
    1,3-propanediol 5.04
    bromobenzene 215.01
    dibromomethane 255.03
    1,1,2,2-tetrachloroethane 485.28
    2-methyl-cyclohexyl acetate 378.5
    tetrabutyl urea 151.81
    diisobutyl methanol 118.3
    2-phenylethanol 41.91
    styrene 72.67
    dioctyl adipate 227.04
    dimethyl sulfate 99.67
    ethyl butyrate 466.41
    methyl lactate 24.42
    butyl lactate 140.87
    diethyl carbonate 241.52
    propanediol butyl ether 36.56
    triethyl orthoformate 486.51
    p-tert-butyltoluene 146.77
    methyl 4-tert-butylbenzoate 258.77
    morpholine 142.18
    tert-butylamine 25.38
    n-dodecanol 29.44
    dimethoxymethane 65.43
    ethylene carbonate 134.31
    cyrene 108.27
    2-ethoxyethyl acetate 288.14
    2-ethylhexyl acetate 395.66
    1,2,4-trichlorobenzene 234.67
    4-methylpyridine 136.01
    dibutyl ether 368.58
    2,6-dimethyl-4-heptanol 118.3
    DEF 184.99
    dimethyl isosorbide 407.37
    tetrachloroethylene 279.93
    eugenol 107.99
    triacetin 300.61
    span 80 103.36
    1,4-butanediol 2.23
    1,1-dichloroethane 202.7
    2-methyl-1-pentanol 30.54
    methyl formate 10.75
    2-methyl-1-butanol 27.18
    n-decane 58.37
    butyronitrile 29.69
    3,7-dimethyl-1-octanol 88.64
    1-chlorooctane 159.83
    1-chlorotetradecane 51.08
    n-nonane 60.06
    undecane 32.45
    tert-butylcyclohexane 82.17
    cyclooctane 123.42
    cyclopentanol 62.44
    tetrahydropyran 314.3
    tert-amyl methyl ether 196.5
    2,5,8-trioxanonane 226.69
    1-hexene 63.52
    2-isopropoxyethanol 35.71
    2,2,2-trifluoroethanol 9.31
    methyl butyrate 230.24

    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