(Z)-6-heneicosen-11-one

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  • Identifiers

    CAS number
    54844-65-4

    Molecular formula
    C21H40O

    SMILES
    CCCCCCCCCCC(=O)CCC/C=C\CCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 67.07%
    Waxy 56.78%
    Oily 51.78%
    Fruity 42.3%
    Dairy 32.22%
    Meaty 30.0%
    Floral 28.27%
    Milky 28.1%
    Citrus 26.72%
    Creamy 26.38%

     

    Flavor
    Fatty 37.43%
    Waxy 36.24%
    Faint 26.36%
    Fat 25.98%
    Oily 23.29%
    Slightly waxy 23.14%
    Mild 22.51%
    Delicate 21.79%
    Bay oil 21.12%
    Low 20.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    7.47 (neutral)

    Molecular weight
    308.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point

    • 164.44 ˚C est.

  • Synonyms

    • (Z)-6-Heneicosen-11-one
    • 54844-65-4
    • (Z)-henicos-6-en-11-one
    • 6-Heneicosen-11-one, (Z)-
    • 6-Heneicosen-11-one, (6Z)-
    • 76H4B905AX
    • RefChem:543302
    • (6Z)-Heneicosen-11-one
    • 6Z-Heneicosen-11-one
    • (Z)-6-Heneicosane-11-one
    • Z-6-Heneicosen-11-one
    • (Z)-6-Henicosen-11-one
    • UNII-76H4B905AX
    • (6Z)-henicos-6-en-11-one
    • cis-6-heneicosene-11-one
    • SCHEMBL592119
    • (6Z)-6-heneicosen-11-one
    • orb2563911
    • DTXSID70886116
    • (6Z)-6-Henicosen-11-one #
    • LMFA12000214
    • (6Z)-HENEICOS-6-EN-11-ONE
    • HY-W679971
    • HENEICOSANE-11-ONE, (Z)-6-
    • CS-0763839
    • Z-6-Heneicosen-11-one CAS 54844-65-4
    • Q27266492
    • 54844-65-4

  • Applications

    (Z)-6-heneicosen-11-one (CAS 54844-65-4) is a long-chain compound with a double bond at position 6 in the Z configuration; in practical use, it may be employed as a fragrance ingredient and fragrance intermediate in perfumery, and as an odorant with the potential to act as a fixative in fragrance formulations; it may appear in cosmetics/personal care products and in household cleaning products to impart or stabilize scent; in coatings/inks and polymer manufacturing, it may serve as a processing aid or solvent for plastic and rubber components; and it may be used as an intermediate in industrial chemical synthesis related to polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 371.99
    methanol 208.25
    isopropanol 521.1
    water 0.01
    ethyl acetate 2102.87
    n-propanol 518.58
    acetone 1382.0
    n-butanol 721.06
    acetonitrile 387.49
    DMF 980.77
    toluene 724.61
    isobutanol 532.44
    1,4-dioxane 1660.67
    methyl acetate 951.09
    THF 3119.21
    2-butanone 1603.64
    n-pentanol 466.39
    sec-butanol 685.61
    n-hexane 446.08
    ethylene glycol 9.89
    NMP 1577.1
    cyclohexane 1553.41
    DMSO 1163.2
    n-butyl acetate 2182.05
    n-octanol 405.23
    chloroform 2702.71
    n-propyl acetate 2054.89
    acetic acid 279.03
    dichloromethane 2940.35
    cyclohexanone 3558.05
    propylene glycol 42.74
    isopropyl acetate 1880.67
    DMAc 1557.77
    2-ethoxyethanol 613.42
    isopentanol 914.91
    n-heptane 413.96
    ethyl formate 578.62
    1,2-dichloroethane 2362.01
    n-hexanol 538.51
    2-methoxyethanol 619.13
    isobutyl acetate 1252.62
    tetrachloromethane 718.81
    n-pentyl acetate 2051.51
    transcutol 3896.36
    n-heptanol 374.78
    ethylbenzene 554.86
    MIBK 1603.65
    2-propoxyethanol 816.53
    tert-butanol 906.83
    MTBE 1911.67
    2-butoxyethanol 741.52
    propionic acid 374.89
    o-xylene 607.59
    formic acid 29.27
    diethyl ether 2106.41
    m-xylene 556.47
    p-xylene 772.95
    chlorobenzene 1030.7
    dimethyl carbonate 243.79
    n-octane 133.1
    formamide 72.68
    cyclopentanone 2617.04
    2-pentanone 2006.55
    anisole 943.39
    cyclopentyl methyl ether 2293.71
    gamma-butyrolactone 1949.27
    1-methoxy-2-propanol 765.24
    pyridine 1517.03
    3-pentanone 1434.96
    furfural 1229.65
    n-dodecane 58.95
    diethylene glycol 208.04
    diisopropyl ether 899.81
    tert-amyl alcohol 963.62
    acetylacetone 1791.29
    n-hexadecane 75.03
    acetophenone 963.47
    methyl propionate 1055.52
    isopentyl acetate 2009.34
    trichloroethylene 3249.36
    n-nonanol 406.5
    cyclohexanol 1237.26
    benzyl alcohol 436.94
    2-ethylhexanol 663.9
    isooctanol 440.12
    dipropyl ether 1898.38
    1,2-dichlorobenzene 1150.99
    ethyl lactate 397.4
    propylene carbonate 1194.05
    n-methylformamide 271.03
    2-pentanol 733.78
    n-pentane 283.55
    1-propoxy-2-propanol 1041.78
    1-methoxy-2-propyl acetate 1518.59
    2-(2-methoxypropoxy) propanol 666.45
    mesitylene 457.66
    ε-caprolactone 2666.5
    p-cymene 454.9
    epichlorohydrin 2393.85
    1,1,1-trichloroethane 2603.98
    2-aminoethanol 62.03
    morpholine-4-carbaldehyde 1418.01
    sulfolane 2361.45
    2,2,4-trimethylpentane 188.07
    2-methyltetrahydrofuran 3035.2
    n-hexyl acetate 1905.94
    isooctane 130.67
    2-(2-butoxyethoxy)ethanol 979.12
    sec-butyl acetate 1636.3
    tert-butyl acetate 2186.88
    decalin 401.61
    glycerin 63.94
    diglyme 2338.17
    acrylic acid 178.6
    isopropyl myristate 632.45
    n-butyric acid 1283.25
    acetyl acetate 942.66
    di(2-ethylhexyl) phthalate 361.27
    ethyl propionate 1647.98
    nitromethane 746.12
    1,2-diethoxyethane 2497.9
    benzonitrile 721.55
    trioctyl phosphate 291.91
    1-bromopropane 1938.48
    gamma-valerolactone 2933.72
    n-decanol 255.09
    triethyl phosphate 638.13
    4-methyl-2-pentanol 507.74
    propionitrile 616.51
    vinylene carbonate 816.55
    1,1,2-trichlorotrifluoroethane 1097.91
    DMS 776.21
    cumene 402.25
    2-octanol 392.88
    2-hexanone 1596.91
    octyl acetate 688.52
    limonene 989.83
    1,2-dimethoxyethane 1990.53
    ethyl orthosilicate 702.72
    tributyl phosphate 430.08
    diacetone alcohol 1309.53
    N,N-dimethylaniline 657.84
    acrylonitrile 445.84
    aniline 574.04
    1,3-propanediol 208.65
    bromobenzene 1297.79
    dibromomethane 2189.74
    1,1,2,2-tetrachloroethane 3196.23
    2-methyl-cyclohexyl acetate 1216.97
    tetrabutyl urea 632.89
    diisobutyl methanol 536.65
    2-phenylethanol 473.01
    styrene 674.84
    dioctyl adipate 853.54
    dimethyl sulfate 439.1
    ethyl butyrate 2004.3
    methyl lactate 253.12
    butyl lactate 912.95
    diethyl carbonate 886.25
    propanediol butyl ether 505.17
    triethyl orthoformate 1375.33
    p-tert-butyltoluene 403.75
    methyl 4-tert-butylbenzoate 913.56
    morpholine 2243.66
    tert-butylamine 722.1
    n-dodecanol 183.35
    dimethoxymethane 901.8
    ethylene carbonate 927.87
    cyrene 538.78
    2-ethoxyethyl acetate 1793.36
    2-ethylhexyl acetate 1726.53
    1,2,4-trichlorobenzene 1242.53
    4-methylpyridine 1730.57
    dibutyl ether 1913.63
    2,6-dimethyl-4-heptanol 536.65
    DEF 2004.53
    dimethyl isosorbide 1402.88
    tetrachloroethylene 1955.11
    eugenol 619.32
    triacetin 1375.67
    span 80 688.17
    1,4-butanediol 75.88
    1,1-dichloroethane 2224.11
    2-methyl-1-pentanol 600.42
    methyl formate 187.17
    2-methyl-1-butanol 769.45
    n-decane 152.18
    butyronitrile 997.38
    3,7-dimethyl-1-octanol 541.56
    1-chlorooctane 640.44
    1-chlorotetradecane 186.02
    n-nonane 163.27
    undecane 87.07
    tert-butylcyclohexane 280.25
    cyclooctane 374.91
    cyclopentanol 877.63
    tetrahydropyran 3669.19
    tert-amyl methyl ether 1531.35
    2,5,8-trioxanonane 1242.5
    1-hexene 926.08
    2-isopropoxyethanol 652.43
    2,2,2-trifluoroethanol 98.98
    methyl butyrate 2159.99

    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