2-Heneicosanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    22589-04-4

    Molecular formula
    C21H42O

    SMILES
    CCCCCCCCCCCCCCCCCCCC(=O)C

  • Odor profile

    Waxy 68.87%
    Fatty 65.74%
    Oily 50.63%
    Fruity 34.94%
    Dairy 31.19%
    Creamy 29.84%
    Orris 26.82%
    Milky 25.02%
    Sweet 24.83%
    Meaty 22.52%

    Scent© AI

  • Properties

    XLogP3-AA
    9.5

    pKa est.
    7.99 (neutral)

    Molecular weight
    310.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point est.
    168.1 ˚C

  • Synonyms

    • 2-Heneicosanone
    • 22589-04-4
    • henicosan-2-one
    • Heneicosan-2-one
    • heneicosa-2-one
    • SCHEMBL963197
    • DTXSID50336189
    • CHEBI:179411
    • LMFA12000220
    • AS-82129
    • E77641

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.91
    methanol 18.46
    isopropanol 38.87
    water 0.01
    ethyl acetate 320.31
    n-propanol 41.78
    acetone 130.54
    n-butanol 63.68
    acetonitrile 48.81
    DMF 201.03
    toluene 121.84
    isobutanol 52.66
    1,4-dioxane 306.46
    methyl acetate 155.12
    THF 774.53
    2-butanone 228.15
    n-pentanol 50.37
    sec-butanol 65.57
    n-hexane 65.03
    ethylene glycol 1.64
    NMP 605.0
    cyclohexane 348.88
    DMSO 228.22
    n-butyl acetate 495.08
    n-octanol 91.93
    chloroform 822.3
    n-propyl acetate 429.32
    acetic acid 50.28
    dichloromethane 766.83
    cyclohexanone 839.27
    propylene glycol 7.1
    isopropyl acetate 359.86
    DMAc 410.0
    2-ethoxyethanol 99.5
    isopentanol 97.44
    n-heptane 113.29
    ethyl formate 106.81
    1,2-dichloroethane 527.68
    n-hexanol 71.38
    2-methoxyethanol 96.52
    isobutyl acetate 318.24
    tetrachloromethane 245.14
    n-pentyl acetate 613.72
    transcutol 801.86
    n-heptanol 77.58
    ethylbenzene 123.33
    MIBK 326.65
    2-propoxyethanol 140.44
    tert-butanol 107.33
    MTBE 259.7
    2-butoxyethanol 187.56
    propionic acid 68.63
    o-xylene 134.2
    formic acid 6.39
    diethyl ether 205.78
    m-xylene 112.13
    p-xylene 186.41
    chlorobenzene 246.82
    dimethyl carbonate 55.47
    n-octane 40.67
    formamide 14.5
    cyclopentanone 763.0
    2-pentanone 300.36
    anisole 240.83
    cyclopentyl methyl ether 563.28
    gamma-butyrolactone 647.14
    1-methoxy-2-propanol 134.44
    pyridine 305.02
    3-pentanone 276.72
    furfural 415.38
    n-dodecane 18.31
    diethylene glycol 39.59
    diisopropyl ether 159.95
    tert-amyl alcohol 136.62
    acetylacetone 387.49
    n-hexadecane 23.8
    acetophenone 307.25
    methyl propionate 197.71
    isopentyl acetate 505.91
    trichloroethylene 861.12
    n-nonanol 102.93
    cyclohexanol 207.09
    benzyl alcohol 99.89
    2-ethylhexanol 134.18
    isooctanol 100.56
    dipropyl ether 459.23
    1,2-dichlorobenzene 356.8
    ethyl lactate 121.88
    propylene carbonate 422.3
    n-methylformamide 48.97
    2-pentanol 74.53
    n-pentane 35.15
    1-propoxy-2-propanol 225.76
    1-methoxy-2-propyl acetate 402.85
    2-(2-methoxypropoxy) propanol 215.61
    mesitylene 113.67
    ε-caprolactone 717.21
    p-cymene 146.04
    epichlorohydrin 647.96
    1,1,1-trichloroethane 753.01
    2-aminoethanol 8.94
    morpholine-4-carbaldehyde 423.69
    sulfolane 1044.43
    2,2,4-trimethylpentane 42.16
    2-methyltetrahydrofuran 628.57
    n-hexyl acetate 528.83
    isooctane 28.26
    2-(2-butoxyethoxy)ethanol 271.31
    sec-butyl acetate 387.39
    tert-butyl acetate 545.69
    decalin 111.25
    glycerin 14.58
    diglyme 708.61
    acrylic acid 40.69
    isopropyl myristate 216.39
    n-butyric acid 211.89
    acetyl acetate 219.43
    di(2-ethylhexyl) phthalate 122.44
    ethyl propionate 389.35
    nitromethane 148.71
    1,2-diethoxyethane 543.26
    benzonitrile 167.88
    trioctyl phosphate 100.44
    1-bromopropane 359.47
    gamma-valerolactone 830.65
    n-decanol 66.76
    triethyl phosphate 283.68
    4-methyl-2-pentanol 73.56
    propionitrile 80.19
    vinylene carbonate 271.13
    1,1,2-trichlorotrifluoroethane 371.93
    DMS 240.28
    cumene 102.67
    2-octanol 88.29
    2-hexanone 341.15
    octyl acetate 226.32
    limonene 300.75
    1,2-dimethoxyethane 452.42
    ethyl orthosilicate 291.71
    tributyl phosphate 149.12
    diacetone alcohol 318.05
    N,N-dimethylaniline 192.27
    acrylonitrile 70.16
    aniline 106.13
    1,3-propanediol 26.1
    bromobenzene 324.46
    dibromomethane 532.33
    1,1,2,2-tetrachloroethane 972.49
    2-methyl-cyclohexyl acetate 450.37
    tetrabutyl urea 228.77
    diisobutyl methanol 140.99
    2-phenylethanol 112.83
    styrene 136.78
    dioctyl adipate 315.83
    dimethyl sulfate 147.96
    ethyl butyrate 590.57
    methyl lactate 69.38
    butyl lactate 278.76
    diethyl carbonate 292.32
    propanediol butyl ether 126.64
    triethyl orthoformate 492.47
    p-tert-butyltoluene 135.68
    methyl 4-tert-butylbenzoate 367.73
    morpholine 378.94
    tert-butylamine 91.59
    n-dodecanol 49.25
    dimethoxymethane 164.54
    ethylene carbonate 284.7
    cyrene 228.11
    2-ethoxyethyl acetate 495.11
    2-ethylhexyl acetate 468.33
    1,2,4-trichlorobenzene 407.81
    4-methylpyridine 319.15
    dibutyl ether 473.61
    2,6-dimethyl-4-heptanol 140.99
    DEF 401.43
    dimethyl isosorbide 594.05
    tetrachloroethylene 590.49
    eugenol 227.36
    triacetin 512.96
    span 80 219.91
    1,4-butanediol 11.53
    1,1-dichloroethane 445.01
    2-methyl-1-pentanol 82.52
    methyl formate 40.24
    2-methyl-1-butanol 84.71
    n-decane 47.38
    butyronitrile 122.93
    3,7-dimethyl-1-octanol 139.21
    1-chlorooctane 191.54
    1-chlorotetradecane 59.35
    n-nonane 47.98
    undecane 27.0
    tert-butylcyclohexane 80.1
    cyclooctane 93.03
    cyclopentanol 179.69
    tetrahydropyran 567.67
    tert-amyl methyl ether 285.63
    2,5,8-trioxanonane 416.28
    1-hexene 118.99
    2-isopropoxyethanol 116.17
    2,2,2-trifluoroethanol 29.72
    methyl butyrate 510.18

    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

Botanical

Name CAS Botanical Proportion
Acacia confusa flower (China) Acacia confusa Merr., fam. Mimosaceae (Leguminosae) 0.32%