10,12-Heptacosanedione

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  • Identifiers

    CAS number
    95605-27-9

    Molecular formula
    C27H52O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 63.78%
    Waxy 61.75%
    Oily 42.55%
    Dairy 28.75%
    Odorless 28.18%
    Creamy 27.52%
    Milky 27.45%
    Woody 25.03%
    Meaty 24.42%
    Savory 24.13%

     

    Flavor
    Fatty 47.17%
    Waxy 41.35%
    Fat 32.73%
    Mild 32.33%
    Oily 32.17%
    Bland 29.91%
    Faint 27.03%
    Coconut 26.18%
    Slightly waxy 25.14%
    Bay oil 23.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.2

    pKa est.
    8.36 (weak base)

    Molecular weight
    408.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Melting point expt.

    • 50 - 51 °C

    Flash point

    • 207.79 ˚C est.

  • Synonyms

    • 10,12-Heptacosanedione
    • 95605-27-9
    • RefChem:235601
    • heptacosane-10,12-dione
    • CHEBI:172649
    • DTXSID001314569
    • 95605-27-9

  • Applications

    10,12-Heptacosanedione (CAS 95605-27-9) is a long-chain diketone that is primarily encountered as a potential fragrance ingredient and fragrance intermediate, capable of serving as an odorant and a fixative in perfumery; it may be used in cosmetics and personal care formulations as a fragrance component, and in household products such as cleaners, laundry detergents, and air fresheners to impart or stabilize scent; in industrial manufacturing it can function as a synthetic intermediate for specialty chemicals and as a building block in polymer-related applications where long-chain diketones are involved.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.27
    methanol 8.05
    isopropanol 8.15
    water 0.04
    ethyl acetate 112.72
    n-propanol 12.26
    acetone 70.08
    n-butanol 15.56
    acetonitrile 23.04
    DMF 136.17
    toluene 51.57
    isobutanol 16.03
    1,4-dioxane 123.35
    methyl acetate 74.43
    THF 388.64
    2-butanone 107.26
    n-pentanol 16.06
    sec-butanol 17.99
    n-hexane 12.22
    ethylene glycol 1.16
    NMP 605.82
    cyclohexane 76.22
    DMSO 164.24
    n-butyl acetate 149.22
    n-octanol 34.38
    chloroform 460.87
    n-propyl acetate 156.57
    acetic acid 38.81
    dichloromethane 471.84
    cyclohexanone 474.85
    propylene glycol 3.78
    isopropyl acetate 125.33
    DMAc 350.16
    2-ethoxyethanol 43.61
    isopentanol 26.68
    n-heptane 14.56
    ethyl formate 52.48
    1,2-dichloroethane 282.16
    n-hexanol 17.75
    2-methoxyethanol 40.38
    isobutyl acetate 113.08
    tetrachloromethane 114.56
    n-pentyl acetate 270.38
    transcutol 394.67
    n-heptanol 27.48
    ethylbenzene 44.8
    MIBK 130.54
    2-propoxyethanol 54.93
    tert-butanol 27.2
    MTBE 67.78
    2-butoxyethanol 88.66
    propionic acid 41.53
    o-xylene 59.37
    formic acid 7.54
    diethyl ether 45.02
    m-xylene 46.72
    p-xylene 74.59
    chlorobenzene 134.78
    dimethyl carbonate 42.2
    n-octane 8.33
    formamide 17.51
    cyclopentanone 493.65
    2-pentanone 115.01
    anisole 103.59
    cyclopentyl methyl ether 224.0
    gamma-butyrolactone 433.71
    1-methoxy-2-propanol 52.51
    pyridine 163.51
    3-pentanone 123.08
    furfural 295.6
    n-dodecane 4.4
    diethylene glycol 19.48
    diisopropyl ether 35.62
    tert-amyl alcohol 42.88
    acetylacetone 207.36
    n-hexadecane 5.58
    acetophenone 171.55
    methyl propionate 93.55
    isopentyl acetate 161.83
    trichloroethylene 571.59
    n-nonanol 37.94
    cyclohexanol 72.61
    benzyl alcohol 48.09
    2-ethylhexanol 34.28
    isooctanol 35.06
    dipropyl ether 93.7
    1,2-dichlorobenzene 208.61
    ethyl lactate 61.55
    propylene carbonate 277.77
    n-methylformamide 39.48
    2-pentanol 17.14
    n-pentane 6.61
    1-propoxy-2-propanol 77.38
    1-methoxy-2-propyl acetate 168.91
    2-(2-methoxypropoxy) propanol 118.19
    mesitylene 43.27
    ε-caprolactone 410.33
    p-cymene 46.09
    epichlorohydrin 402.62
    1,1,1-trichloroethane 380.88
    2-aminoethanol 4.77
    morpholine-4-carbaldehyde 288.77
    sulfolane 890.57
    2,2,4-trimethylpentane 11.59
    2-methyltetrahydrofuran 285.82
    n-hexyl acetate 233.16
    isooctane 5.94
    2-(2-butoxyethoxy)ethanol 135.12
    sec-butyl acetate 134.0
    tert-butyl acetate 211.29
    decalin 29.14
    glycerin 9.17
    diglyme 381.14
    acrylic acid 32.26
    isopropyl myristate 79.07
    n-butyric acid 93.85
    acetyl acetate 108.18
    di(2-ethylhexyl) phthalate 66.46
    ethyl propionate 144.95
    nitromethane 124.87
    1,2-diethoxyethane 181.99
    benzonitrile 82.47
    trioctyl phosphate 44.91
    1-bromopropane 127.08
    gamma-valerolactone 570.63
    n-decanol 23.73
    triethyl phosphate 123.11
    4-methyl-2-pentanol 20.09
    propionitrile 31.02
    vinylene carbonate 203.41
    1,1,2-trichlorotrifluoroethane 263.92
    DMS 128.81
    cumene 36.63
    2-octanol 30.63
    2-hexanone 128.54
    octyl acetate 91.56
    limonene 88.12
    1,2-dimethoxyethane 171.23
    ethyl orthosilicate 119.08
    tributyl phosphate 69.53
    diacetone alcohol 156.59
    N,N-dimethylaniline 82.82
    acrylonitrile 35.36
    aniline 50.86
    1,3-propanediol 10.52
    bromobenzene 171.45
    dibromomethane 272.2
    1,1,2,2-tetrachloroethane 568.05
    2-methyl-cyclohexyl acetate 189.98
    tetrabutyl urea 120.11
    diisobutyl methanol 34.15
    2-phenylethanol 45.17
    styrene 52.66
    dioctyl adipate 159.54
    dimethyl sulfate 138.55
    ethyl butyrate 186.82
    methyl lactate 45.11
    butyl lactate 152.45
    diethyl carbonate 110.06
    propanediol butyl ether 67.5
    triethyl orthoformate 167.91
    p-tert-butyltoluene 42.61
    methyl 4-tert-butylbenzoate 214.02
    morpholine 154.68
    tert-butylamine 21.51
    n-dodecanol 16.39
    dimethoxymethane 74.62
    ethylene carbonate 178.77
    cyrene 151.2
    2-ethoxyethyl acetate 267.82
    2-ethylhexyl acetate 153.37
    1,2,4-trichlorobenzene 262.99
    4-methylpyridine 164.86
    dibutyl ether 125.12
    2,6-dimethyl-4-heptanol 34.15
    DEF 185.89
    dimethyl isosorbide 360.28
    tetrachloroethylene 332.12
    eugenol 146.65
    triacetin 307.97
    span 80 113.72
    1,4-butanediol 5.81
    1,1-dichloroethane 203.42
    2-methyl-1-pentanol 27.57
    methyl formate 33.5
    2-methyl-1-butanol 25.8
    n-decane 11.06
    butyronitrile 37.07
    3,7-dimethyl-1-octanol 44.2
    1-chlorooctane 59.86
    1-chlorotetradecane 16.98
    n-nonane 10.82
    undecane 6.45
    tert-butylcyclohexane 18.85
    cyclooctane 18.49
    cyclopentanol 73.83
    tetrahydropyran 202.72
    tert-amyl methyl ether 89.73
    2,5,8-trioxanonane 210.02
    1-hexene 27.4
    2-isopropoxyethanol 46.88
    2,2,2-trifluoroethanol 31.32
    methyl butyrate 213.3

    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