Heneicosanal

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  • Identifiers

    CAS number
    51227-32-8

    Molecular formula
    C21H42O

    SMILES
    CCCCCCCCCCCCCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 74.33%
    Fatty 66.78%
    Oily 39.86%
    Meaty 33.41%
    Savory 23.14%
    Sweet 22.74%
    Odorless 22.47%
    Citrus 22.17%
    Clean 22.17%
    Fishy 21.85%

     

    Flavor
    Waxy 65.85%
    Alkane 41.09%
    Fatty 36.82%
    Fat 32.44%
    Wax 30.94%
    Soapy 30.42%
    Mild 29.91%
    Flower 28.62%
    Fresh 26.4%
    Citrus peel 24.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    7.34 (neutral)

    Molecular weight
    310.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    395°C

    Flash point

    • 180.67 ˚C est.

  • Synonyms

    • Heneicosanal
    • 4PGK075SA7
    • 51227-32-8
    • UNII-4PGK075SA7
    • RefChem:145563
    • FJZCFGKQFDPNHS-UHFFFAOYSA-N
    • Henicosanal
    • SCHEMBL157365
    • SCHEMBL371480
    • SCHEMBL9805325
    • DTXSID801317955
    • Q67879913
    • 51227-32-8

  • Applications

    Heneicosanal (CAS 51227-32-8) is primarily used as a fragrance material (odorant) in perfumery, where its long-chain aldehyde structure contributes to distinct scent notes and may function as a fixative to extend fragrance longevity. It is commonly evaluated as an intermediate in the synthesis of other aroma chemicals and fragrance ingredients. In cosmetics and personal care formulations, it may be included as a fragrance component; in household products, it can serve as a fragrance additive to impart specific scent profiles. In coatings/inks or polymer-related formulations, it may be used as a fragrance-related additive where permitted by regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.22
    methanol 6.35
    isopropanol 12.07
    water 0.01
    ethyl acetate 131.57
    n-propanol 14.26
    acetone 53.16
    n-butanol 22.32
    acetonitrile 19.14
    DMF 92.74
    toluene 50.81
    isobutanol 18.38
    1,4-dioxane 129.13
    methyl acetate 64.31
    THF 453.76
    2-butanone 90.34
    n-pentanol 21.15
    sec-butanol 21.15
    n-hexane 23.9
    ethylene glycol 0.74
    NMP 357.64
    cyclohexane 131.39
    DMSO 134.31
    n-butyl acetate 247.23
    n-octanol 42.7
    chloroform 405.58
    n-propyl acetate 203.36
    acetic acid 23.5
    dichloromethane 411.7
    cyclohexanone 413.95
    propylene glycol 2.97
    isopropyl acetate 165.28
    DMAc 184.2
    2-ethoxyethanol 49.13
    isopentanol 38.68
    n-heptane 49.26
    ethyl formate 49.2
    1,2-dichloroethane 282.32
    n-hexanol 30.97
    2-methoxyethanol 41.62
    isobutyl acetate 155.74
    tetrachloromethane 121.23
    n-pentyl acetate 320.4
    transcutol 455.66
    n-heptanol 37.19
    ethylbenzene 53.31
    MIBK 160.44
    2-propoxyethanol 72.58
    tert-butanol 41.24
    MTBE 98.8
    2-butoxyethanol 102.79
    propionic acid 30.74
    o-xylene 61.2
    formic acid 3.19
    diethyl ether 71.47
    m-xylene 52.27
    p-xylene 81.98
    chlorobenzene 118.34
    dimethyl carbonate 28.3
    n-octane 19.13
    formamide 7.64
    cyclopentanone 406.78
    2-pentanone 129.14
    anisole 119.36
    cyclopentyl methyl ether 272.94
    gamma-butyrolactone 364.88
    1-methoxy-2-propanol 61.86
    pyridine 149.44
    3-pentanone 111.96
    furfural 251.19
    n-dodecane 9.09
    diethylene glycol 20.41
    diisopropyl ether 66.74
    tert-amyl alcohol 52.66
    acetylacetone 191.22
    n-hexadecane 11.59
    acetophenone 170.46
    methyl propionate 85.43
    isopentyl acetate 261.21
    trichloroethylene 482.15
    n-nonanol 48.27
    cyclohexanol 83.18
    benzyl alcohol 48.82
    2-ethylhexanol 62.29
    isooctanol 51.87
    dipropyl ether 210.49
    1,2-dichlorobenzene 190.48
    ethyl lactate 63.85
    propylene carbonate 235.64
    n-methylformamide 23.45
    2-pentanol 26.79
    n-pentane 13.12
    1-propoxy-2-propanol 115.45
    1-methoxy-2-propyl acetate 220.36
    2-(2-methoxypropoxy) propanol 121.86
    mesitylene 57.73
    ε-caprolactone 360.15
    p-cymene 78.06
    epichlorohydrin 372.34
    1,1,1-trichloroethane 389.87
    2-aminoethanol 3.87
    morpholine-4-carbaldehyde 226.1
    sulfolane 707.73
    2,2,4-trimethylpentane 20.05
    2-methyltetrahydrofuran 318.8
    n-hexyl acetate 254.25
    isooctane 13.92
    2-(2-butoxyethoxy)ethanol 152.39
    sec-butyl acetate 184.25
    tert-butyl acetate 278.86
    decalin 49.2
    glycerin 6.74
    diglyme 415.82
    acrylic acid 19.63
    isopropyl myristate 110.47
    n-butyric acid 94.69
    acetyl acetate 104.52
    di(2-ethylhexyl) phthalate 65.25
    ethyl propionate 186.13
    nitromethane 71.29
    1,2-diethoxyethane 285.15
    benzonitrile 82.0
    trioctyl phosphate 52.83
    1-bromopropane 163.04
    gamma-valerolactone 455.09
    n-decanol 31.72
    triethyl phosphate 166.15
    4-methyl-2-pentanol 32.19
    propionitrile 31.52
    vinylene carbonate 148.11
    1,1,2-trichlorotrifluoroethane 216.24
    DMS 122.63
    cumene 49.35
    2-octanol 41.95
    2-hexanone 158.72
    octyl acetate 110.93
    limonene 154.59
    1,2-dimethoxyethane 224.92
    ethyl orthosilicate 170.23
    tributyl phosphate 79.55
    diacetone alcohol 177.88
    N,N-dimethylaniline 99.25
    acrylonitrile 29.64
    aniline 47.85
    1,3-propanediol 11.03
    bromobenzene 159.27
    dibromomethane 271.75
    1,1,2,2-tetrachloroethane 544.12
    2-methyl-cyclohexyl acetate 257.19
    tetrabutyl urea 126.64
    diisobutyl methanol 75.23
    2-phenylethanol 58.42
    styrene 62.4
    dioctyl adipate 172.13
    dimethyl sulfate 87.67
    ethyl butyrate 314.91
    methyl lactate 34.82
    butyl lactate 151.38
    diethyl carbonate 158.23
    propanediol butyl ether 64.89
    triethyl orthoformate 272.44
    p-tert-butyltoluene 74.62
    methyl 4-tert-butylbenzoate 214.53
    morpholine 169.32
    tert-butylamine 34.9
    n-dodecanol 23.63
    dimethoxymethane 73.51
    ethylene carbonate 143.52
    cyrene 139.71
    2-ethoxyethyl acetate 264.37
    2-ethylhexyl acetate 246.35
    1,2,4-trichlorobenzene 223.41
    4-methylpyridine 143.65
    dibutyl ether 213.92
    2,6-dimethyl-4-heptanol 75.23
    DEF 181.27
    dimethyl isosorbide 388.66
    tetrachloroethylene 309.45
    eugenol 136.25
    triacetin 273.02
    span 80 114.53
    1,4-butanediol 5.25
    1,1-dichloroethane 210.08
    2-methyl-1-pentanol 35.62
    methyl formate 20.12
    2-methyl-1-butanol 32.31
    n-decane 22.38
    butyronitrile 47.82
    3,7-dimethyl-1-octanol 68.43
    1-chlorooctane 95.35
    1-chlorotetradecane 29.51
    n-nonane 22.68
    undecane 13.12
    tert-butylcyclohexane 36.32
    cyclooctane 39.62
    cyclopentanol 76.43
    tetrahydropyran 245.69
    tert-amyl methyl ether 117.6
    2,5,8-trioxanonane 240.93
    1-hexene 44.91
    2-isopropoxyethanol 58.28
    2,2,2-trifluoroethanol 15.34
    methyl butyrate 247.84

    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