2-Heptacosanone

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  • Identifiers

    CAS number
    7796-19-2

    Molecular formula
    C27H54O

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 73.44%
    Fatty 61.33%
    Oily 45.82%
    Odorless 25.57%
    Creamy 23.34%
    Dairy 22.1%
    Meaty 20.29%
    Orris 20.23%
    Sweet 20.13%
    Savory 19.38%

     

    Flavor
    Waxy 57.93%
    Alkane 40.43%
    Fatty 35.84%
    Mild 34.03%
    Fat 29.33%
    Bland 28.46%
    Oily 26.7%
    Slightly waxy 25.44%
    Faint 24.38%
    Delicate 23.78%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.8

    pKa est.
    8.9 (weak base)

    Molecular weight
    394.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    481°C

    Flash point

    • 211.65 ˚C est.

  • Synonyms

    • 2-Heptacosanone
    • 7796-19-2
    • heptacosa-2-one
    • heptacosane-2-one
    • RefChem:87243
    • MJEFMWGOVVCQIK-UHFFFAOYSA-N
    • heptacosan-2-one
    • 89743-31-7
    • SCHEMBL14688495
    • DTXSID101367092
    • FH181084
    • 7796-19-2

  • Applications

    2-Heptacosanone (CAS 7796-19-2) is a long-chain ketone commonly used in perfumery as an odorant and fixative to help fragrances develop and linger; it is also evaluated for cosmetics and personal care formulations as a fragrance ingredient with subtle, waxy notes; in household products it can serve as a fragrance additive to impart and stabilize aroma; in polymers, coatings, and inks it may function as a processing aid or texture-modifying component due to its hydrophobic, high-molecular-weight character; and in industrial manufacturing it can act as a niche intermediate for fragrance-related synthesis where allowed by regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.06
    methanol 2.61
    isopropanol 2.62
    water 0.01
    ethyl acetate 45.59
    n-propanol 4.14
    acetone 17.8
    n-butanol 5.88
    acetonitrile 6.08
    DMF 33.92
    toluene 18.93
    isobutanol 5.37
    1,4-dioxane 54.78
    methyl acetate 25.14
    THF 160.05
    2-butanone 34.78
    n-pentanol 6.55
    sec-butanol 6.35
    n-hexane 8.71
    ethylene glycol 0.31
    NMP 191.93
    cyclohexane 54.38
    DMSO 49.11
    n-butyl acetate 84.4
    n-octanol 20.19
    chloroform 209.07
    n-propyl acetate 77.08
    acetic acid 10.46
    dichloromethane 188.45
    cyclohexanone 181.09
    propylene glycol 1.08
    isopropyl acetate 59.6
    DMAc 110.57
    2-ethoxyethanol 17.74
    isopentanol 10.57
    n-heptane 17.86
    ethyl formate 17.61
    1,2-dichloroethane 101.25
    n-hexanol 8.78
    2-methoxyethanol 14.04
    isobutyl acetate 60.99
    tetrachloromethane 59.05
    n-pentyl acetate 157.0
    transcutol 214.3
    n-heptanol 16.11
    ethylbenzene 23.07
    MIBK 56.38
    2-propoxyethanol 24.0
    tert-butanol 10.04
    MTBE 35.87
    2-butoxyethanol 45.0
    propionic acid 12.65
    o-xylene 25.94
    formic acid 1.98
    diethyl ether 21.2
    m-xylene 19.84
    p-xylene 36.1
    chlorobenzene 50.52
    dimethyl carbonate 12.92
    n-octane 8.72
    formamide 3.98
    cyclopentanone 167.17
    2-pentanone 41.58
    anisole 51.04
    cyclopentyl methyl ether 109.68
    gamma-butyrolactone 149.45
    1-methoxy-2-propanol 19.06
    pyridine 56.93
    3-pentanone 46.5
    furfural 108.35
    n-dodecane 4.11
    diethylene glycol 7.42
    diisopropyl ether 22.79
    tert-amyl alcohol 18.45
    acetylacetone 75.84
    n-hexadecane 5.21
    acetophenone 78.33
    methyl propionate 33.0
    isopentyl acetate 102.6
    trichloroethylene 212.75
    n-nonanol 24.32
    cyclohexanol 28.33
    benzyl alcohol 18.52
    2-ethylhexanol 21.89
    isooctanol 22.98
    dipropyl ether 75.64
    1,2-dichlorobenzene 88.73
    ethyl lactate 27.56
    propylene carbonate 104.39
    n-methylformamide 9.67
    2-pentanol 6.94
    n-pentane 4.31
    1-propoxy-2-propanol 40.99
    1-methoxy-2-propyl acetate 94.07
    2-(2-methoxypropoxy) propanol 72.62
    mesitylene 22.4
    ε-caprolactone 173.51
    p-cymene 33.29
    epichlorohydrin 146.93
    1,1,1-trichloroethane 170.77
    2-aminoethanol 1.45
    morpholine-4-carbaldehyde 103.47
    sulfolane 326.5
    2,2,4-trimethylpentane 9.1
    2-methyltetrahydrofuran 126.71
    n-hexyl acetate 131.25
    isooctane 4.98
    2-(2-butoxyethoxy)ethanol 75.63
    sec-butyl acetate 74.66
    tert-butyl acetate 118.64
    decalin 22.33
    glycerin 2.86
    diglyme 228.36
    acrylic acid 8.97
    isopropyl myristate 52.63
    n-butyric acid 33.34
    acetyl acetate 45.41
    di(2-ethylhexyl) phthalate 37.11
    ethyl propionate 72.4
    nitromethane 32.41
    1,2-diethoxyethane 122.59
    benzonitrile 29.95
    trioctyl phosphate 26.45
    1-bromopropane 58.23
    gamma-valerolactone 205.74
    n-decanol 14.72
    triethyl phosphate 89.29
    4-methyl-2-pentanol 9.55
    propionitrile 10.01
    vinylene carbonate 70.8
    1,1,2-trichlorotrifluoroethane 104.37
    DMS 59.88
    cumene 22.27
    2-octanol 19.11
    2-hexanone 60.58
    octyl acetate 54.25
    limonene 64.29
    1,2-dimethoxyethane 89.92
    ethyl orthosilicate 92.78
    tributyl phosphate 40.37
    diacetone alcohol 68.16
    N,N-dimethylaniline 47.16
    acrylonitrile 9.69
    aniline 16.92
    1,3-propanediol 3.53
    bromobenzene 71.13
    dibromomethane 115.7
    1,1,2,2-tetrachloroethane 240.4
    2-methyl-cyclohexyl acetate 128.31
    tetrabutyl urea 68.92
    diisobutyl methanol 27.51
    2-phenylethanol 21.46
    styrene 24.39
    dioctyl adipate 96.29
    dimethyl sulfate 46.84
    ethyl butyrate 130.94
    methyl lactate 14.54
    butyl lactate 78.35
    diethyl carbonate 71.35
    propanediol butyl ether 31.12
    triethyl orthoformate 132.49
    p-tert-butyltoluene 30.89
    methyl 4-tert-butylbenzoate 126.33
    morpholine 62.59
    tert-butylamine 9.39
    n-dodecanol 10.46
    dimethoxymethane 26.14
    ethylene carbonate 65.81
    cyrene 76.84
    2-ethoxyethyl acetate 135.28
    2-ethylhexyl acetate 100.97
    1,2,4-trichlorobenzene 106.72
    4-methylpyridine 55.37
    dibutyl ether 98.97
    2,6-dimethyl-4-heptanol 27.51
    DEF 73.94
    dimethyl isosorbide 222.32
    tetrachloroethylene 138.22
    eugenol 78.24
    triacetin 170.08
    span 80 65.72
    1,4-butanediol 2.03
    1,1-dichloroethane 76.4
    2-methyl-1-pentanol 12.58
    methyl formate 8.53
    2-methyl-1-butanol 10.02
    n-decane 11.05
    butyronitrile 13.39
    3,7-dimethyl-1-octanol 30.55
    1-chlorooctane 44.25
    1-chlorotetradecane 12.9
    n-nonane 10.99
    undecane 6.13
    tert-butylcyclohexane 15.67
    cyclooctane 16.93
    cyclopentanol 25.36
    tetrahydropyran 90.38
    tert-amyl methyl ether 50.29
    2,5,8-trioxanonane 132.5
    1-hexene 15.11
    2-isopropoxyethanol 20.56
    2,2,2-trifluoroethanol 8.72
    methyl butyrate 100.87

    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