Docosanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    57402-36-5

    Molecular formula
    C22H44O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.86%
    Fatty 65.87%
    Oily 39.61%
    Meaty 32.29%
    Odorless 23.17%
    Savory 22.83%
    Fishy 21.69%
    Sweet 21.51%
    Clean 21.0%
    Beefy 20.37%

     

    Flavor
    Waxy 64.69%
    Alkane 42.22%
    Fatty 35.35%
    Fat 30.98%
    Mild 30.13%
    Wax 30.06%
    Soapy 28.53%
    Flower 27.34%
    Slightly waxy 24.69%
    Incense 24.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.3

    pKa est.
    7.47 (neutral)

    Molecular weight
    324.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    410°C

    Flash point

    • 187.98 ˚C est.

  • Synonyms

    • Docosanal
    • 57402-36-5
    • n-docosanal
    • Docosyl aldehyde
    • 1-docosanal
    • DTXSID80205995
    • RefChem:135354
    • DTXCID10128486
    • ULCXRAFXRZTNRO-UHFFFAOYSA-N
    • MFCD07780595
    • Docosanal; Behenyl Aldehyde; Docosyl Aldehyde; 1-Docosanal;
    • behenyl aldehyde
    • A5NJ9XW9A6
    • SCHEMBL177432
    • SCHEMBL177433
    • BBL101836
    • STL555633
    • AKOS005259713
    • SB85339
    • MS-20296
    • SY418518
    • G78804
    • Q67879852
    • 57402-36-5

  • Applications

    Docosanal (CAS 57402-36-5) is primarily used in fragrance-related applications as a long-chain odorant and, where appropriate, as a fixative to extend scent retention in perfumes, personal care products, and cleaning formulations. It also serves as a building block or intermediate in fragrance chemistry for the synthesis of other aroma compounds and specialty aroma chemicals. In cosmetics and personal care, it may function as a fragrance component in creams, lotions, and soaps. In industrial manufacturing, it is evaluated as a waxy aldehyde intermediate for the production of specialty coatings, inks, and polymer additives. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.54
    methanol 4.35
    isopropanol 7.19
    water 0.01
    ethyl acetate 92.54
    n-propanol 9.1
    acetone 37.33
    n-butanol 14.18
    acetonitrile 13.23
    DMF 68.51
    toluene 36.73
    isobutanol 11.91
    1,4-dioxane 95.84
    methyl acetate 46.5
    THF 344.77
    2-butanone 64.76
    n-pentanol 14.31
    sec-butanol 13.65
    n-hexane 16.64
    ethylene glycol 0.54
    NMP 295.65
    cyclohexane 95.52
    DMSO 102.15
    n-butyl acetate 180.03
    n-octanol 32.96
    chloroform 318.69
    n-propyl acetate 151.64
    acetic acid 17.65
    dichloromethane 324.68
    cyclohexanone 320.33
    propylene glycol 2.09
    isopropyl acetate 122.2
    DMAc 148.89
    2-ethoxyethanol 36.14
    isopentanol 25.93
    n-heptane 35.04
    ethyl formate 35.26
    1,2-dichloroethane 211.22
    n-hexanol 20.85
    2-methoxyethanol 29.55
    isobutyl acetate 117.43
    tetrachloromethane 95.18
    n-pentyl acetate 259.68
    transcutol 368.14
    n-heptanol 28.0
    ethylbenzene 39.78
    MIBK 121.09
    2-propoxyethanol 52.22
    tert-butanol 26.67
    MTBE 70.61
    2-butoxyethanol 80.78
    propionic acid 22.71
    o-xylene 46.1
    formic acid 2.53
    diethyl ether 47.86
    m-xylene 38.95
    p-xylene 61.41
    chlorobenzene 89.52
    dimethyl carbonate 21.95
    n-octane 14.64
    formamide 6.02
    cyclopentanone 315.56
    2-pentanone 91.18
    anisole 92.95
    cyclopentyl methyl ether 207.25
    gamma-butyrolactone 282.82
    1-methoxy-2-propanol 43.65
    pyridine 109.75
    3-pentanone 81.95
    furfural 197.02
    n-dodecane 7.04
    diethylene glycol 15.0
    diisopropyl ether 48.57
    tert-amyl alcohol 36.92
    acetylacetone 144.85
    n-hexadecane 8.99
    acetophenone 135.51
    methyl propionate 62.25
    isopentyl acetate 198.71
    trichloroethylene 379.41
    n-nonanol 37.72
    cyclohexanol 58.05
    benzyl alcohol 36.22
    2-ethylhexanol 45.13
    isooctanol 39.93
    dipropyl ether 153.57
    1,2-dichlorobenzene 151.03
    ethyl lactate 50.0
    propylene carbonate 186.23
    n-methylformamide 17.35
    2-pentanol 17.4
    n-pentane 8.8
    1-propoxy-2-propanol 86.1
    1-methoxy-2-propyl acetate 172.61
    2-(2-methoxypropoxy) propanol 101.62
    mesitylene 44.11
    ε-caprolactone 284.54
    p-cymene 60.66
    epichlorohydrin 288.98
    1,1,1-trichloroethane 303.11
    2-aminoethanol 2.73
    morpholine-4-carbaldehyde 179.12
    sulfolane 587.47
    2,2,4-trimethylpentane 15.36
    2-methyltetrahydrofuran 243.83
    n-hexyl acetate 204.07
    isooctane 10.48
    2-(2-butoxyethoxy)ethanol 123.21
    sec-butyl acetate 140.19
    tert-butyl acetate 220.44
    decalin 37.72
    glycerin 4.97
    diglyme 346.04
    acrylic acid 14.87
    isopropyl myristate 88.57
    n-butyric acid 68.26
    acetyl acetate 79.92
    di(2-ethylhexyl) phthalate 53.85
    ethyl propionate 141.77
    nitromethane 54.44
    1,2-diethoxyethane 222.35
    benzonitrile 61.43
    trioctyl phosphate 42.69
    1-bromopropane 118.28
    gamma-valerolactone 361.55
    n-decanol 24.65
    triethyl phosphate 137.7
    4-methyl-2-pentanol 22.6
    propionitrile 21.66
    vinylene carbonate 117.92
    1,1,2-trichlorotrifluoroethane 174.25
    DMS 97.85
    cumene 37.79
    2-octanol 32.28
    2-hexanone 118.12
    octyl acetate 88.73
    limonene 119.33
    1,2-dimethoxyethane 172.96
    ethyl orthosilicate 140.9
    tributyl phosphate 64.01
    diacetone alcohol 138.02
    N,N-dimethylaniline 78.02
    acrylonitrile 20.63
    aniline 34.39
    1,3-propanediol 7.6
    bromobenzene 123.61
    dibromomethane 207.8
    1,1,2,2-tetrachloroethane 424.09
    2-methyl-cyclohexyl acetate 209.5
    tetrabutyl urea 104.3
    diisobutyl methanol 56.96
    2-phenylethanol 43.43
    styrene 45.8
    dioctyl adipate 142.99
    dimethyl sulfate 72.24
    ethyl butyrate 244.56
    methyl lactate 26.78
    butyl lactate 122.16
    diethyl carbonate 125.3
    propanediol butyl ether 51.2
    triethyl orthoformate 221.03
    p-tert-butyltoluene 58.02
    methyl 4-tert-butylbenzoate 182.01
    morpholine 123.13
    tert-butylamine 22.75
    n-dodecanol 18.21
    dimethoxymethane 54.25
    ethylene carbonate 112.4
    cyrene 117.06
    2-ethoxyethyl acetate 213.87
    2-ethylhexyl acetate 188.71
    1,2,4-trichlorobenzene 180.19
    4-methylpyridine 106.3
    dibutyl ether 166.21
    2,6-dimethyl-4-heptanol 56.96
    DEF 135.61
    dimethyl isosorbide 332.28
    tetrachloroethylene 239.34
    eugenol 116.0
    triacetin 230.12
    span 80 94.2
    1,4-butanediol 3.81
    1,1-dichloroethane 154.04
    2-methyl-1-pentanol 25.28
    methyl formate 15.16
    2-methyl-1-butanol 21.73
    n-decane 17.5
    butyronitrile 31.87
    3,7-dimethyl-1-octanol 53.28
    1-chlorooctane 74.76
    1-chlorotetradecane 22.7
    n-nonane 17.64
    undecane 10.22
    tert-butylcyclohexane 27.71
    cyclooctane 29.36
    cyclopentanol 54.05
    tetrahydropyran 177.12
    tert-amyl methyl ether 88.02
    2,5,8-trioxanonane 200.39
    1-hexene 30.61
    2-isopropoxyethanol 43.01
    2,2,2-trifluoroethanol 12.42
    methyl butyrate 189.87

    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