2-Eicosanone

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  • Identifiers

    CAS number
    29703-52-4

    Molecular formula
    C20H40O

    SMILES
    CCCCCCCCCCCCCCCCCCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.87%
    Fatty 66.51%
    Oily 51.38%
    Fruity 39.25%
    Dairy 33.16%
    Creamy 31.15%
    Orris 28.2%
    Milky 26.62%
    Sweet 25.82%
    Coconut 23.99%

     

    Flavor
    Waxy 60.49%
    Fatty 46.3%
    Fat 37.03%
    Mild 33.85%
    Alkane 33.44%
    Oily 32.61%
    Coconut 32.46%
    Soapy 30.55%
    Fresh 30.38%
    Orris 28.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.89 (neutral)

    Molecular weight
    296.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Flash point

    • 160.65 ˚C est.

  • Synonyms

    • 2-eicosanone
    • icosan-2-one
    • RefChem:1062979
    • 2-Icosanone
    • methyl octadecyl ketone
    • SCHEMBL966763
    • SCHEMBL10596165
    • SCHEMBL10887338
    • SCHEMBL11796237
    • DTXSID201351339
    • 29703-52-4
    • 29703-52-4

  • Applications

    2-Eicosanone (CAS 29703-52-4) is a long-chain aliphatic ketone primarily used as a fragrance ingredient and fixative in perfumery, helping to impart or stabilize long-lasting scent notes. It may be employed as a fragrance component or carrier in cosmetics and personal care products. It is encountered in household products as a fragrance contributor and odor profile modifier. In coatings and inks, it can serve as an odorant additive and processing aid to influence aroma retention and formulation compatibility. In polymers and plastics, it may be used as a fragrance additive or processing aid in specialty formulations. In industrial manufacturing, it is often evaluated as an intermediate for synthesis of other fragrance-related compounds. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.5
    methanol 30.57
    isopropanol 69.36
    water 0.01
    ethyl acetate 453.94
    n-propanol 70.85
    acetone 195.8
    n-butanol 105.48
    acetonitrile 74.59
    DMF 276.98
    toluene 171.58
    isobutanol 86.35
    1,4-dioxane 417.75
    methyl acetate 218.41
    THF 1005.85
    2-butanone 326.5
    n-pentanol 78.51
    sec-butanol 106.25
    n-hexane 102.95
    ethylene glycol 2.5
    NMP 721.26
    cyclohexane 484.55
    DMSO 305.67
    n-butyl acetate 663.99
    n-octanol 123.3
    chloroform 1054.99
    n-propyl acetate 574.46
    acetic acid 69.91
    dichloromethane 979.22
    cyclohexanone 1092.62
    propylene glycol 10.99
    isopropyl acetate 488.58
    DMAc 506.08
    2-ethoxyethanol 141.69
    isopentanol 152.51
    n-heptane 163.82
    ethyl formate 150.67
    1,2-dichloroethane 700.18
    n-hexanol 111.36
    2-methoxyethanol 145.13
    isobutyl acetate 420.81
    tetrachloromethane 315.44
    n-pentyl acetate 742.76
    transcutol 1027.9
    n-heptanol 105.68
    ethylbenzene 166.78
    MIBK 431.31
    2-propoxyethanol 200.06
    tert-butanol 171.22
    MTBE 376.42
    2-butoxyethanol 244.7
    propionic acid 97.17
    o-xylene 180.53
    formic acid 8.55
    diethyl ether 319.35
    m-xylene 154.1
    p-xylene 250.39
    chlorobenzene 322.62
    dimethyl carbonate 71.89
    n-octane 54.66
    formamide 19.28
    cyclopentanone 966.67
    2-pentanone 422.09
    anisole 305.83
    cyclopentyl methyl ether 742.77
    gamma-butyrolactone 823.05
    1-methoxy-2-propanol 197.57
    pyridine 417.89
    3-pentanone 373.02
    furfural 520.77
    n-dodecane 24.43
    diethylene glycol 57.15
    diisopropyl ether 226.8
    tert-amyl alcohol 202.13
    acetylacetone 503.52
    n-hexadecane 31.69
    acetophenone 376.85
    methyl propionate 274.23
    isopentyl acetate 654.79
    trichloroethylene 1093.06
    n-nonanol 136.34
    cyclohexanol 299.87
    benzyl alcohol 134.65
    2-ethylhexanol 190.52
    isooctanol 135.62
    dipropyl ether 640.04
    1,2-dichlorobenzene 440.87
    ethyl lactate 158.42
    propylene carbonate 529.87
    n-methylformamide 68.34
    2-pentanol 119.98
    n-pentane 55.52
    1-propoxy-2-propanol 311.11
    1-methoxy-2-propyl acetate 511.88
    2-(2-methoxypropoxy) propanol 264.86
    mesitylene 149.13
    ε-caprolactone 903.9
    p-cymene 186.82
    epichlorohydrin 826.87
    1,1,1-trichloroethane 965.53
    2-aminoethanol 13.99
    morpholine-4-carbaldehyde 533.73
    sulfolane 1247.61
    2,2,4-trimethylpentane 56.74
    2-methyltetrahydrofuran 835.59
    n-hexyl acetate 660.78
    isooctane 39.3
    2-(2-butoxyethoxy)ethanol 342.5
    sec-butyl acetate 508.26
    tert-butyl acetate 690.24
    decalin 148.54
    glycerin 21.24
    diglyme 853.45
    acrylic acid 56.51
    isopropyl myristate 270.77
    n-butyric acid 302.5
    acetyl acetate 288.09
    di(2-ethylhexyl) phthalate 150.62
    ethyl propionate 512.44
    nitromethane 197.05
    1,2-diethoxyethane 703.3
    benzonitrile 228.45
    trioctyl phosphate 124.67
    1-bromopropane 498.16
    gamma-valerolactone 1039.23
    n-decanol 89.51
    triethyl phosphate 339.58
    4-methyl-2-pentanol 109.47
    propionitrile 125.11
    vinylene carbonate 341.95
    1,1,2-trichlorotrifluoroethane 468.21
    DMS 299.82
    cumene 135.66
    2-octanol 118.17
    2-hexanone 460.33
    octyl acetate 282.91
    limonene 384.87
    1,2-dimethoxyethane 599.15
    ethyl orthosilicate 347.5
    tributyl phosphate 185.66
    diacetone alcohol 409.52
    N,N-dimethylaniline 239.99
    acrylonitrile 105.95
    aniline 149.29
    1,3-propanediol 41.07
    bromobenzene 418.73
    dibromomethane 701.11
    1,1,2,2-tetrachloroethane 1223.59
    2-methyl-cyclohexyl acetate 542.37
    tetrabutyl urea 276.23
    diisobutyl methanol 189.94
    2-phenylethanol 153.0
    styrene 187.05
    dioctyl adipate 380.56
    dimethyl sulfate 177.92
    ethyl butyrate 758.37
    methyl lactate 91.59
    butyl lactate 346.17
    diethyl carbonate 369.24
    propanediol butyl ether 165.64
    triethyl orthoformate 602.79
    p-tert-butyltoluene 173.05
    methyl 4-tert-butylbenzoate 428.51
    morpholine 530.32
    tert-butylamine 145.36
    n-dodecanol 66.29
    dimethoxymethane 227.69
    ethylene carbonate 367.32
    cyrene 268.81
    2-ethoxyethyl acetate 601.99
    2-ethylhexyl acetate 596.83
    1,2,4-trichlorobenzene 499.6
    4-methylpyridine 432.02
    dibutyl ether 618.05
    2,6-dimethyl-4-heptanol 189.94
    DEF 537.24
    dimethyl isosorbide 698.37
    tetrachloroethylene 755.62
    eugenol 269.63
    triacetin 605.55
    span 80 277.37
    1,4-butanediol 17.42
    1,1-dichloroethane 607.86
    2-methyl-1-pentanol 121.22
    methyl formate 54.27
    2-methyl-1-butanol 130.44
    n-decane 62.39
    butyronitrile 190.34
    3,7-dimethyl-1-octanol 183.32
    1-chlorooctane 248.41
    1-chlorotetradecane 78.04
    n-nonane 63.86
    undecane 35.85
    tert-butylcyclohexane 108.5
    cyclooctane 127.71
    cyclopentanol 257.56
    tetrahydropyran 797.26
    tert-amyl methyl ether 392.53
    2,5,8-trioxanonane 501.93
    1-hexene 185.7
    2-isopropoxyethanol 163.41
    2,2,2-trifluoroethanol 37.56
    methyl butyrate 665.72

    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