Tetracontane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4181-95-7

    Molecular formula
    C40H82

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 86.62%
    Fatty 38.84%
    Oily 29.81%
    Odorless 25.98%
    Fishy 16.63%
    Meaty 13.01%
    Savory 12.27%
    Burnt 10.95%
    Sweet 10.49%
    Animal 10.04%

     

    Flavor
    Alkane 60.01%
    Waxy 52.16%
    Bland 28.05%
    Mild 24.56%
    Slightly waxy 20.6%
    Delicate 19.59%
    Incense 18.45%
    Citrus peel 18.36%
    Bay oil 18.1%
    Beer 18.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    21.3

    pKa est.
    11.92 (strong base)

    Molecular weight
    563.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    627°C

    Flash point

    • 313.47 ˚C est.

  • Synonyms

    • n-Tetracontane
    • TETRACONTANE
    • 4181-95-7
    • UNII-I79S9IXB9Y
    • I79S9IXB9Y
    • EINECS 224-055-7
    • AI3-36490
    • DTXSID2063341
    • nTetracontane
    • RefChem:188450
    • DTXCID4039990
    • 224-055-7
    • KUPLEGDPSCCPJI-UHFFFAOYSA-N
    • MFCD00015267
    • C40H82
    • SCHEMBL198673
    • SCHEMBL198674
    • SCHEMBL201142
    • SCHEMBL201935
    • SCHEMBL988040
    • orb3029122
    • SCHEMBL1685021
    • SCHEMBL6684256
    • SCHEMBL16235777
    • SCHEMBL26121845
    • Tetracontane, analytical standard
    • MSK3531
    • Tetracontane, >=95.0% (GC)
    • MSK3531-400H
    • HY-W540509
    • LS-15432
    • SY010045
    • NS00049183
    • n-Tetracontane Solution in Hexane, 400ug/mL
    • T72448
    • Q151239
    • C4F1723F-8A7B-4248-A951-73F06DE9834E
    • Tetracontane

  • Applications

    Tetracontane (CAS 4181-95-7) is a high molecular weight saturated hydrocarbon that appears as a waxy solid; it is primarily used as a wax component and structuring agent in cosmetics and personal care formulations, and as a wax additive in household polishes and surface coatings to improve texture, slip and gloss. It is also employed in coatings and inks to enhance slip and moisture resistance, and in industrial manufacturing as a processing aid and lubricant component in plastics and rubber formulations; in polymer processing it can influence crystallinity and rheology as a wax phase. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.16
    methanol 0.78
    isopropanol 1.65
    water 0.01
    ethyl acetate 48.85
    n-propanol 2.94
    acetone 15.75
    n-butanol 4.59
    acetonitrile 2.61
    DMF 23.27
    toluene 33.86
    isobutanol 4.24
    1,4-dioxane 55.51
    methyl acetate 23.39
    THF 184.44
    2-butanone 33.15
    n-pentanol 5.13
    sec-butanol 5.12
    n-hexane 15.76
    ethylene glycol 0.15
    NMP 179.57
    cyclohexane 77.52
    DMSO 33.51
    n-butyl acetate 97.66
    n-octanol 15.81
    chloroform 170.63
    n-propyl acetate 59.99
    acetic acid 6.13
    dichloromethane 149.47
    cyclohexanone 165.3
    propylene glycol 0.52
    isopropyl acetate 64.78
    DMAc 91.81
    2-ethoxyethanol 9.94
    isopentanol 7.99
    n-heptane 44.91
    ethyl formate 13.36
    1,2-dichloroethane 89.61
    n-hexanol 7.88
    2-methoxyethanol 7.84
    isobutyl acetate 55.0
    tetrachloromethane 62.38
    n-pentyl acetate 136.53
    transcutol 117.07
    n-heptanol 13.59
    ethylbenzene 25.53
    MIBK 51.64
    2-propoxyethanol 17.79
    tert-butanol 6.37
    MTBE 39.92
    2-butoxyethanol 30.61
    propionic acid 8.78
    o-xylene 39.22
    formic acid 0.86
    diethyl ether 24.48
    m-xylene 31.03
    p-xylene 39.61
    chlorobenzene 59.53
    dimethyl carbonate 17.97
    n-octane 18.52
    formamide 1.63
    cyclopentanone 166.76
    2-pentanone 41.52
    anisole 46.05
    cyclopentyl methyl ether 155.23
    gamma-butyrolactone 147.04
    1-methoxy-2-propanol 12.33
    pyridine 55.71
    3-pentanone 56.86
    furfural 82.43
    n-dodecane 7.04
    diethylene glycol 3.99
    diisopropyl ether 33.87
    tert-amyl alcohol 14.87
    acetylacetone 77.91
    n-hexadecane 9.16
    acetophenone 61.98
    methyl propionate 38.64
    isopentyl acetate 120.28
    trichloroethylene 182.06
    n-nonanol 20.96
    cyclohexanol 25.15
    benzyl alcohol 12.44
    2-ethylhexanol 25.15
    isooctanol 20.44
    dipropyl ether 124.99
    1,2-dichlorobenzene 89.44
    ethyl lactate 19.87
    propylene carbonate 103.45
    n-methylformamide 5.13
    2-pentanol 6.68
    n-pentane 8.19
    1-propoxy-2-propanol 36.39
    1-methoxy-2-propyl acetate 103.65
    2-(2-methoxypropoxy) propanol 47.32
    mesitylene 34.07
    ε-caprolactone 167.91
    p-cymene 51.01
    epichlorohydrin 131.83
    1,1,1-trichloroethane 176.86
    2-aminoethanol 0.66
    morpholine-4-carbaldehyde 86.97
    sulfolane 307.36
    2,2,4-trimethylpentane 17.68
    2-methyltetrahydrofuran 148.95
    n-hexyl acetate 110.87
    isooctane 8.98
    2-(2-butoxyethoxy)ethanol 47.36
    sec-butyl acetate 74.59
    tert-butyl acetate 132.61
    decalin 37.58
    glycerin 1.34
    diglyme 169.08
    acrylic acid 5.82
    isopropyl myristate 59.46
    n-butyric acid 25.65
    acetyl acetate 51.76
    di(2-ethylhexyl) phthalate 29.8
    ethyl propionate 72.23
    nitromethane 17.6
    1,2-diethoxyethane 117.42
    benzonitrile 19.95
    trioctyl phosphate 24.79
    1-bromopropane 63.31
    gamma-valerolactone 170.69
    n-decanol 13.28
    triethyl phosphate 115.93
    4-methyl-2-pentanol 8.74
    propionitrile 6.19
    vinylene carbonate 64.79
    1,1,2-trichlorotrifluoroethane 78.7
    DMS 64.8
    cumene 25.17
    2-octanol 16.44
    2-hexanone 50.32
    octyl acetate 51.59
    limonene 107.22
    1,2-dimethoxyethane 59.65
    ethyl orthosilicate 123.15
    tributyl phosphate 39.71
    diacetone alcohol 54.04
    N,N-dimethylaniline 48.22
    acrylonitrile 5.4
    aniline 19.41
    1,3-propanediol 1.95
    bromobenzene 94.42
    dibromomethane 102.08
    1,1,2,2-tetrachloroethane 213.38
    2-methyl-cyclohexyl acetate 146.37
    tetrabutyl urea 61.88
    diisobutyl methanol 35.27
    2-phenylethanol 15.82
    styrene 27.09
    dioctyl adipate 86.48
    dimethyl sulfate 61.1
    ethyl butyrate 159.23
    methyl lactate 12.61
    butyl lactate 59.82
    diethyl carbonate 88.19
    propanediol butyl ether 15.75
    triethyl orthoformate 183.53
    p-tert-butyltoluene 52.6
    methyl 4-tert-butylbenzoate 114.01
    morpholine 55.03
    tert-butylamine 6.58
    n-dodecanol 9.92
    dimethoxymethane 28.64
    ethylene carbonate 64.7
    cyrene 55.35
    2-ethoxyethyl acetate 119.76
    2-ethylhexyl acetate 136.14
    1,2,4-trichlorobenzene 113.95
    4-methylpyridine 57.32
    dibutyl ether 122.88
    2,6-dimethyl-4-heptanol 35.27
    DEF 72.05
    dimethyl isosorbide 199.87
    tetrachloroethylene 119.15
    eugenol 50.7
    triacetin 131.77
    span 80 43.73
    1,4-butanediol 1.01
    1,1-dichloroethane 68.97
    2-methyl-1-pentanol 9.97
    methyl formate 5.85
    2-methyl-1-butanol 8.76
    n-decane 20.14
    butyronitrile 9.24
    3,7-dimethyl-1-octanol 27.94
    1-chlorooctane 54.76
    1-chlorotetradecane 17.41
    n-nonane 19.8
    undecane 10.83
    tert-butylcyclohexane 27.88
    cyclooctane 38.67
    cyclopentanol 22.13
    tetrahydropyran 103.2
    tert-amyl methyl ether 64.74
    2,5,8-trioxanonane 96.27
    1-hexene 19.45
    2-isopropoxyethanol 13.17
    2,2,2-trifluoroethanol 5.41
    methyl butyrate 82.73

    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