12,14-Nonacosanedione

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  • Identifiers

    CAS number
    58141-94-9

    Molecular formula
    C29H56O2

    SMILES
    CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 64.08%
    Waxy 63.65%
    Oily 42.64%
    Odorless 28.98%
    Dairy 26.97%
    Creamy 26.31%
    Milky 25.57%
    Woody 23.81%
    Meaty 23.75%
    Savory 23.75%

     

    Flavor
    Fatty 46.27%
    Waxy 42.07%
    Mild 33.23%
    Fat 32.31%
    Oily 31.28%
    Bland 31.19%
    Faint 28.02%
    Slightly waxy 25.26%
    Coconut 25.21%
    Odorless 23.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.3

    pKa est.
    8.66 (weak base)

    Molecular weight
    436.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    516°C

    Flash point

    • 219.36 ˚C est.

  • Synonyms

    • 12,14-Nonacosanedione
    • 58141-94-9
    • DTXSID70340844
    • RefChem:78105
    • DTXCID90291925
    • ODJOAWUARZQRLR-UHFFFAOYSA-N
    • nonacosane-12,14-dione
    • Nonacosan-12,14-dion
    • SCHEMBL7760601
    • CHEBI:176727
    • DB-238204
    • 58141-94-9

  • Applications

    12,14-Nonacosanedione is a long-chain diketone that is typically used as a fragrance ingredient and fixative in perfumery and cosmetic formulations, helping to stabilize and extend the release of aroma in personal care products. It may also serve as an intermediate in the synthesis of specialty chemicals and as an additive in polymer and plastics formulations to modify processing characteristics or material properties. In coatings and inks, it can function as a wax-like or rheology-modifying component, contributing to gloss, texture, and film formation. In industrial manufacturing contexts, it is often evaluated as a processing aid or specialty additive, subject to formulation limits and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.19
    methanol 5.41
    isopropanol 5.05
    water 0.04
    ethyl acetate 81.46
    n-propanol 8.14
    acetone 48.42
    n-butanol 10.12
    acetonitrile 15.68
    DMF 94.67
    toluene 38.37
    isobutanol 10.48
    1,4-dioxane 90.27
    methyl acetate 53.91
    THF 283.38
    2-butanone 76.91
    n-pentanol 11.29
    sec-butanol 11.95
    n-hexane 9.52
    ethylene glycol 0.8
    NMP 477.35
    cyclohexane 56.29
    DMSO 113.79
    n-butyl acetate 108.94
    n-octanol 25.83
    chloroform 363.61
    n-propyl acetate 112.43
    acetic acid 27.81
    dichloromethane 365.61
    cyclohexanone 348.87
    propylene glycol 2.55
    isopropyl acetate 90.12
    DMAc 265.65
    2-ethoxyethanol 31.01
    isopentanol 17.36
    n-heptane 11.57
    ethyl formate 37.54
    1,2-dichloroethane 208.67
    n-hexanol 12.29
    2-methoxyethanol 27.13
    isobutyl acetate 82.41
    tetrachloromethane 90.23
    n-pentyl acetate 204.41
    transcutol 292.94
    n-heptanol 20.64
    ethylbenzene 34.54
    MIBK 92.34
    2-propoxyethanol 38.96
    tert-butanol 17.03
    MTBE 48.24
    2-butoxyethanol 66.34
    propionic acid 29.03
    o-xylene 45.44
    formic acid 5.69
    diethyl ether 31.26
    m-xylene 35.12
    p-xylene 57.03
    chlorobenzene 101.37
    dimethyl carbonate 32.39
    n-octane 6.73
    formamide 12.82
    cyclopentanone 367.49
    2-pentanone 80.38
    anisole 77.63
    cyclopentyl methyl ether 165.54
    gamma-butyrolactone 328.0
    1-methoxy-2-propanol 35.06
    pyridine 122.56
    3-pentanone 90.77
    furfural 226.44
    n-dodecane 3.52
    diethylene glycol 13.84
    diisopropyl ether 25.9
    tert-amyl alcohol 29.43
    acetylacetone 151.81
    n-hexadecane 4.46
    acetophenone 130.88
    methyl propionate 68.39
    isopentyl acetate 119.64
    trichloroethylene 440.3
    n-nonanol 28.94
    cyclohexanol 48.94
    benzyl alcohol 34.66
    2-ethylhexanol 25.02
    isooctanol 26.73
    dipropyl ether 70.59
    1,2-dichlorobenzene 160.83
    ethyl lactate 46.57
    propylene carbonate 216.17
    n-methylformamide 28.08
    2-pentanol 11.48
    n-pentane 5.0
    1-propoxy-2-propanol 56.32
    1-methoxy-2-propyl acetate 130.25
    2-(2-methoxypropoxy) propanol 94.63
    mesitylene 33.03
    ε-caprolactone 310.02
    p-cymene 36.6
    epichlorohydrin 299.35
    1,1,1-trichloroethane 290.94
    2-aminoethanol 3.3
    morpholine-4-carbaldehyde 215.18
    sulfolane 693.07
    2,2,4-trimethylpentane 9.28
    2-methyltetrahydrofuran 209.25
    n-hexyl acetate 177.66
    isooctane 4.59
    2-(2-butoxyethoxy)ethanol 103.19
    sec-butyl acetate 98.87
    tert-butyl acetate 158.33
    decalin 22.89
    glycerin 6.43
    diglyme 293.88
    acrylic acid 23.38
    isopropyl myristate 61.36
    n-butyric acid 64.88
    acetyl acetate 81.34
    di(2-ethylhexyl) phthalate 52.19
    ethyl propionate 107.24
    nitromethane 90.93
    1,2-diethoxyethane 137.73
    benzonitrile 59.55
    trioctyl phosphate 34.9
    1-bromopropane 93.56
    gamma-valerolactone 422.83
    n-decanol 17.94
    triethyl phosphate 100.6
    4-methyl-2-pentanol 13.83
    propionitrile 21.46
    vinylene carbonate 156.22
    1,1,2-trichlorotrifluoroethane 205.16
    DMS 98.9
    cumene 28.36
    2-octanol 23.05
    2-hexanone 93.75
    octyl acetate 70.12
    limonene 68.03
    1,2-dimethoxyethane 123.61
    ethyl orthosilicate 97.32
    tributyl phosphate 54.55
    diacetone alcohol 114.81
    N,N-dimethylaniline 64.53
    acrylonitrile 24.81
    aniline 36.44
    1,3-propanediol 6.89
    bromobenzene 131.86
    dibromomethane 208.35
    1,1,2,2-tetrachloroethane 439.88
    2-methyl-cyclohexyl acetate 150.57
    tetrabutyl urea 95.27
    diisobutyl methanol 25.66
    2-phenylethanol 32.86
    styrene 39.79
    dioctyl adipate 125.1
    dimethyl sulfate 110.37
    ethyl butyrate 144.17
    methyl lactate 33.53
    butyl lactate 119.15
    diethyl carbonate 85.74
    propanediol butyl ether 49.71
    triethyl orthoformate 134.82
    p-tert-butyltoluene 33.78
    methyl 4-tert-butylbenzoate 174.76
    morpholine 109.29
    tert-butylamine 14.13
    n-dodecanol 12.26
    dimethoxymethane 52.5
    ethylene carbonate 135.25
    cyrene 121.39
    2-ethoxyethyl acetate 206.4
    2-ethylhexyl acetate 115.22
    1,2,4-trichlorobenzene 207.58
    4-methylpyridine 119.68
    dibutyl ether 94.2
    2,6-dimethyl-4-heptanol 25.66
    DEF 134.19
    dimethyl isosorbide 296.65
    tetrachloroethylene 254.6
    eugenol 117.83
    triacetin 245.54
    span 80 88.61
    1,4-butanediol 4.09
    1,1-dichloroethane 147.53
    2-methyl-1-pentanol 19.52
    methyl formate 24.43
    2-methyl-1-butanol 17.42
    n-decane 8.86
    butyronitrile 25.16
    3,7-dimethyl-1-octanol 33.88
    1-chlorooctane 46.24
    1-chlorotetradecane 13.21
    n-nonane 8.63
    undecane 5.16
    tert-butylcyclohexane 14.92
    cyclooctane 14.75
    cyclopentanol 50.19
    tetrahydropyran 145.34
    tert-amyl methyl ether 67.2
    2,5,8-trioxanonane 165.0
    1-hexene 20.3
    2-isopropoxyethanol 33.28
    2,2,2-trifluoroethanol 23.61
    methyl butyrate 156.19

    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