Triacontanal

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  • Identifiers

    CAS number
    22725-63-9

    Molecular formula
    C30H60O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 78.32%
    Fatty 59.64%
    Oily 37.01%
    Odorless 25.98%
    Meaty 25.32%
    Fishy 20.41%
    Savory 20.05%
    Sweet 16.0%
    Clean 15.62%
    Beefy 15.6%

     

    Flavor
    Waxy 58.93%
    Alkane 46.96%
    Mild 29.84%
    Fatty 26.93%
    Bland 26.02%
    Wax 24.73%
    Slightly waxy 23.7%
    Fat 23.49%
    Incense 22.27%
    Citrus peel 22.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.6

    pKa est.
    8.87 (weak base)

    Molecular weight
    436.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    542°C

    Flash point

    • 246.22 ˚C est.

  • Synonyms

    • triacontanal
    • Thiacontanal
    • N-TRIACONTANAL
    • V696E9G5E2
    • CHEBI:84946
    • DTXSID30177259
    • RefChem:190804
    • DTXCID8099750
    • CGNVIRPGBUXJES-UHFFFAOYSA-N
    • 22725-63-9
    • UNII-V696E9G5E2
    • SCHEMBL9309385
    • SCHEMBL15136035
    • LMFA06000262
    • F81218
    • Q27158211
    • 22725-63-9

  • Applications

    Triacontanal (CAS 22725-63-9) is primarily used as a fragrance ingredient and as a fragrance fixative in perfumery and personal care products; it may also serve as an intermediate in the synthesis of fragrance compounds and their derivatives. It can be incorporated into household and cleaning products to impart a lasting odor. In cosmetics and perfumery, it is commonly evaluated as a fragrance component and can act as a precursor for additional aroma materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.71
    methanol 0.84
    isopropanol 0.75
    water 0.01
    ethyl acetate 15.6
    n-propanol 1.32
    acetone 6.58
    n-butanol 1.8
    acetonitrile 2.04
    DMF 12.76
    toluene 7.61
    isobutanol 1.58
    1,4-dioxane 20.24
    methyl acetate 9.0
    THF 66.8
    2-butanone 12.18
    n-pentanol 2.35
    sec-butanol 1.86
    n-hexane 3.18
    ethylene glycol 0.13
    NMP 92.41
    cyclohexane 16.38
    DMSO 22.14
    n-butyl acetate 31.47
    n-octanol 7.59
    chloroform 84.91
    n-propyl acetate 28.05
    acetic acid 4.37
    dichloromethane 80.13
    cyclohexanone 68.6
    propylene glycol 0.4
    isopropyl acetate 20.74
    DMAc 42.46
    2-ethoxyethanol 7.12
    isopentanol 3.31
    n-heptane 6.84
    ethyl formate 6.84
    1,2-dichloroethane 42.47
    n-hexanol 3.12
    2-methoxyethanol 5.16
    isobutyl acetate 22.72
    tetrachloromethane 24.81
    n-pentyl acetate 59.39
    transcutol 94.6
    n-heptanol 6.01
    ethylbenzene 9.0
    MIBK 20.28
    2-propoxyethanol 9.7
    tert-butanol 2.82
    MTBE 11.56
    2-butoxyethanol 18.71
    propionic acid 4.66
    o-xylene 10.42
    formic acid 0.94
    diethyl ether 6.38
    m-xylene 8.42
    p-xylene 13.64
    chlorobenzene 19.93
    dimethyl carbonate 6.17
    n-octane 3.68
    formamide 1.89
    cyclopentanone 69.46
    2-pentanone 13.93
    anisole 20.24
    cyclopentyl methyl ether 41.89
    gamma-butyrolactone 68.83
    1-methoxy-2-propanol 7.08
    pyridine 22.55
    3-pentanone 16.84
    furfural 51.73
    n-dodecane 1.79
    diethylene glycol 3.15
    diisopropyl ether 8.16
    tert-amyl alcohol 5.63
    acetylacetone 31.61
    n-hexadecane 2.24
    acetophenone 33.09
    methyl propionate 12.28
    isopentyl acetate 39.96
    trichloroethylene 92.77
    n-nonanol 9.43
    cyclohexanol 8.76
    benzyl alcohol 7.07
    2-ethylhexanol 8.33
    isooctanol 8.92
    dipropyl ether 27.22
    1,2-dichlorobenzene 38.35
    ethyl lactate 11.8
    propylene carbonate 49.35
    n-methylformamide 3.77
    2-pentanol 2.17
    n-pentane 1.44
    1-propoxy-2-propanol 16.22
    1-methoxy-2-propyl acetate 40.96
    2-(2-methoxypropoxy) propanol 34.48
    mesitylene 9.53
    ε-caprolactone 70.46
    p-cymene 14.67
    epichlorohydrin 64.21
    1,1,1-trichloroethane 70.23
    2-aminoethanol 0.57
    morpholine-4-carbaldehyde 45.84
    sulfolane 176.07
    2,2,4-trimethylpentane 3.91
    2-methyltetrahydrofuran 47.71
    n-hexyl acetate 50.59
    isooctane 2.23
    2-(2-butoxyethoxy)ethanol 33.8
    sec-butyl acetate 28.42
    tert-butyl acetate 47.26
    decalin 8.92
    glycerin 1.21
    diglyme 101.37
    acrylic acid 3.73
    isopropyl myristate 22.24
    n-butyric acid 11.73
    acetyl acetate 18.79
    di(2-ethylhexyl) phthalate 16.52
    ethyl propionate 28.0
    nitromethane 13.27
    1,2-diethoxyethane 47.53
    benzonitrile 11.94
    trioctyl phosphate 11.86
    1-bromopropane 21.27
    gamma-valerolactone 89.43
    n-decanol 5.83
    triethyl phosphate 44.55
    4-methyl-2-pentanol 3.36
    propionitrile 3.31
    vinylene carbonate 33.29
    1,1,2-trichlorotrifluoroethane 48.87
    DMS 26.1
    cumene 9.2
    2-octanol 7.27
    2-hexanone 22.32
    octyl acetate 21.73
    limonene 26.26
    1,2-dimethoxyethane 34.33
    ethyl orthosilicate 45.08
    tributyl phosphate 18.67
    diacetone alcohol 28.57
    N,N-dimethylaniline 19.83
    acrylonitrile 3.49
    aniline 6.44
    1,3-propanediol 1.3
    bromobenzene 29.33
    dibromomethane 49.31
    1,1,2,2-tetrachloroethane 103.36
    2-methyl-cyclohexyl acetate 58.75
    tetrabutyl urea 30.27
    diisobutyl methanol 11.54
    2-phenylethanol 8.51
    styrene 9.37
    dioctyl adipate 42.33
    dimethyl sulfate 24.39
    ethyl butyrate 52.93
    methyl lactate 6.55
    butyl lactate 34.27
    diethyl carbonate 31.64
    propanediol butyl ether 13.2
    triethyl orthoformate 60.31
    p-tert-butyltoluene 14.58
    methyl 4-tert-butylbenzoate 60.12
    morpholine 21.99
    tert-butylamine 2.65
    n-dodecanol 4.2
    dimethoxymethane 10.3
    ethylene carbonate 29.31
    cyrene 37.22
    2-ethoxyethyl acetate 55.77
    2-ethylhexyl acetate 40.69
    1,2,4-trichlorobenzene 48.89
    4-methylpyridine 20.21
    dibutyl ether 36.44
    2,6-dimethyl-4-heptanol 11.54
    DEF 25.3
    dimethyl isosorbide 114.48
    tetrachloroethylene 58.33
    eugenol 37.61
    triacetin 72.67
    span 80 28.11
    1,4-butanediol 0.81
    1,1-dichloroethane 27.64
    2-methyl-1-pentanol 4.62
    methyl formate 3.75
    2-methyl-1-butanol 3.15
    n-decane 4.55
    butyronitrile 4.31
    3,7-dimethyl-1-octanol 12.35
    1-chlorooctane 17.89
    1-chlorotetradecane 5.43
    n-nonane 4.43
    undecane 2.63
    tert-butylcyclohexane 6.86
    cyclooctane 6.39
    cyclopentanol 8.34
    tetrahydropyran 29.72
    tert-amyl methyl ether 17.79
    2,5,8-trioxanonane 61.48
    1-hexene 5.2
    2-isopropoxyethanol 7.92
    2,2,2-trifluoroethanol 3.99
    methyl butyrate 38.27

    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