14,16-Nonacosanedione

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  • Identifiers

    CAS number
    72089-30-6

    Molecular formula
    C29H56O2

    SMILES
    CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCCCC

    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

    • 219.21 ˚C est.

  • Synonyms

    • 14,16-Nonacosanedione
    • nonacosane-14,16-dione
    • G6QCE4K90Z
    • RefChem:78570
    • 72089-30-6
    • UNII-G6QCE4K90Z
    • nonacosan-14,16-dione
    • SCHEMBL7757546
    • CHEBI:172678
    • DTXSID901314728
    • 16-Hydroxy-15-nonacosen-14-one, 9CI
    • 72089-30-6

  • Applications

    14,16-Nonacosanedione (CAS 72089-30-6) is a long-chain diketone used across several industrial and consumer sectors. In perfumery and cosmetics, it is treated as an odorant and fixative, contributing to fragrance retention and scent profile, and may serve as a fragrance carrier in personal care products. In the polymer and plastics industry, it can be employed as a processing aid or plasticizer to improve processing characteristics and flexibility of long-chain systems. In broader industrial manufacturing, it can function as an intermediate for the synthesis of specialty chemicals and fragrance additives. Additionally, it may be used as a fragrance component in household cleaning products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.06
    methanol 5.24
    isopropanol 4.88
    water 0.04
    ethyl acetate 79.15
    n-propanol 7.89
    acetone 47.11
    n-butanol 9.81
    acetonitrile 15.21
    DMF 92.33
    toluene 37.49
    isobutanol 10.14
    1,4-dioxane 88.04
    methyl acetate 52.45
    THF 277.81
    2-butanone 74.92
    n-pentanol 11.0
    sec-butanol 11.57
    n-hexane 9.29
    ethylene glycol 0.78
    NMP 468.68
    cyclohexane 54.69
    DMSO 111.06
    n-butyl acetate 106.36
    n-octanol 25.22
    chloroform 356.28
    n-propyl acetate 109.48
    acetic acid 27.02
    dichloromethane 357.81
    cyclohexanone 340.71
    propylene glycol 2.47
    isopropyl acetate 87.75
    DMAc 260.15
    2-ethoxyethanol 30.26
    isopentanol 16.85
    n-heptane 11.3
    ethyl formate 36.5
    1,2-dichloroethane 203.94
    n-hexanol 11.97
    2-methoxyethanol 26.38
    isobutyl acetate 80.38
    tetrachloromethane 88.05
    n-pentyl acetate 199.57
    transcutol 287.65
    n-heptanol 20.14
    ethylbenzene 33.82
    MIBK 90.09
    2-propoxyethanol 38.07
    tert-butanol 16.52
    MTBE 47.03
    2-butoxyethanol 64.82
    propionic acid 28.2
    o-xylene 44.48
    formic acid 5.52
    diethyl ether 30.37
    m-xylene 34.36
    p-xylene 55.73
    chlorobenzene 99.2
    dimethyl carbonate 31.58
    n-octane 6.57
    formamide 12.43
    cyclopentanone 359.87
    2-pentanone 78.24
    anisole 76.06
    cyclopentyl methyl ether 161.85
    gamma-butyrolactone 320.88
    1-methoxy-2-propanol 34.11
    pyridine 119.74
    3-pentanone 88.47
    furfural 222.03
    n-dodecane 3.45
    diethylene glycol 13.52
    diisopropyl ether 25.24
    tert-amyl alcohol 28.61
    acetylacetone 148.14
    n-hexadecane 4.37
    acetophenone 128.17
    methyl propionate 66.57
    isopentyl acetate 117.01
    trichloroethylene 431.61
    n-nonanol 28.31
    cyclohexanol 47.5
    benzyl alcohol 33.87
    2-ethylhexanol 24.46
    isooctanol 26.11
    dipropyl ether 69.06
    1,2-dichlorobenzene 157.67
    ethyl lactate 45.52
    propylene carbonate 211.59
    n-methylformamide 27.31
    2-pentanol 11.14
    n-pentane 4.86
    1-propoxy-2-propanol 55.1
    1-methoxy-2-propyl acetate 127.7
    2-(2-methoxypropoxy) propanol 93.26
    mesitylene 32.36
    ε-caprolactone 302.69
    p-cymene 35.91
    epichlorohydrin 293.13
    1,1,1-trichloroethane 284.43
    2-aminoethanol 3.2
    morpholine-4-carbaldehyde 210.57
    sulfolane 680.36
    2,2,4-trimethylpentane 9.08
    2-methyltetrahydrofuran 204.52
    n-hexyl acetate 173.78
    isooctane 4.5
    2-(2-butoxyethoxy)ethanol 101.4
    sec-butyl acetate 96.45
    tert-butyl acetate 154.75
    decalin 22.4
    glycerin 6.26
    diglyme 288.52
    acrylic acid 22.74
    isopropyl myristate 60.14
    n-butyric acid 62.98
    acetyl acetate 79.31
    di(2-ethylhexyl) phthalate 51.25
    ethyl propionate 104.59
    nitromethane 88.56
    1,2-diethoxyethane 134.92
    benzonitrile 58.17
    trioctyl phosphate 34.19
    1-bromopropane 91.29
    gamma-valerolactone 413.52
    n-decanol 17.54
    triethyl phosphate 98.82
    4-methyl-2-pentanol 13.48
    propionitrile 20.83
    vinylene carbonate 152.64
    1,1,2-trichlorotrifluoroethane 201.08
    DMS 96.86
    cumene 27.8
    2-octanol 22.49
    2-hexanone 91.49
    octyl acetate 68.63
    limonene 66.7
    1,2-dimethoxyethane 120.81
    ethyl orthosilicate 95.59
    tributyl phosphate 53.48
    diacetone alcohol 112.26
    N,N-dimethylaniline 63.34
    acrylonitrile 24.13
    aniline 35.53
    1,3-propanediol 6.68
    bromobenzene 129.24
    dibromomethane 203.87
    1,1,2,2-tetrachloroethane 431.29
    2-methyl-cyclohexyl acetate 147.92
    tetrabutyl urea 93.51
    diisobutyl methanol 25.12
    2-phenylethanol 32.19
    styrene 38.96
    dioctyl adipate 122.75
    dimethyl sulfate 107.88
    ethyl butyrate 141.15
    methyl lactate 32.73
    butyl lactate 116.65
    diethyl carbonate 83.96
    propanediol butyl ether 48.65
    triethyl orthoformate 132.39
    p-tert-butyltoluene 33.17
    methyl 4-tert-butylbenzoate 171.82
    morpholine 106.49
    tert-butylamine 13.72
    n-dodecanol 11.99
    dimethoxymethane 51.2
    ethylene carbonate 132.0
    cyrene 119.48
    2-ethoxyethyl acetate 201.9
    2-ethylhexyl acetate 112.76
    1,2,4-trichlorobenzene 203.7
    4-methylpyridine 116.94
    dibutyl ether 92.18
    2,6-dimethyl-4-heptanol 25.12
    DEF 130.84
    dimethyl isosorbide 292.37
    tetrachloroethylene 249.05
    eugenol 115.74
    triacetin 240.98
    span 80 86.99
    1,4-butanediol 3.98
    1,1-dichloroethane 143.97
    2-methyl-1-pentanol 19.05
    methyl formate 23.76
    2-methyl-1-butanol 16.92
    n-decane 8.67
    butyronitrile 24.42
    3,7-dimethyl-1-octanol 33.18
    1-chlorooctane 45.24
    1-chlorotetradecane 12.93
    n-nonane 8.44
    undecane 5.05
    tert-butylcyclohexane 14.62
    cyclooctane 14.38
    cyclopentanol 48.79
    tetrahydropyran 141.58
    tert-amyl methyl ether 65.61
    2,5,8-trioxanonane 162.32
    1-hexene 19.8
    2-isopropoxyethanol 32.49
    2,2,2-trifluoroethanol 22.99
    methyl butyrate 152.26

    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