cis-12-Heneicosene-2,4-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    112-09-4

    Molecular formula
    C21H38O2

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)CC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fatty 67.35%
    Waxy 54.13%
    Fruity 49.19%
    Oily 46.58%
    Floral 36.65%
    Dairy 35.1%
    Creamy 32.61%
    Milky 31.89%
    Woody 31.49%
    Sweet 31.19%

     

    Flavor
    Fatty 41.36%
    Waxy 36.27%
    Fruity 32.82%
    Oily 29.04%
    Floral 27.12%
    Fat 25.69%
    Woody 24.92%
    Creamy 23.84%
    Faint 23.76%
    Slightly waxy 22.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.56 (neutral)

    Molecular weight
    322.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 179.68 ˚C est.

  • Synonyms

    • Oleoyl acetone
    • cis-12-HENEICOSENE-2,4-DIONE
    • 112-09-4
    • NSC-78719
    • 4KBN6RRC6S
    • DTXSID601019010
    • RefChem:1081925
    • DTXCID101477009
    • USAF DO-9
    • (Z)-henicos-12-ene-2,4-dione
    • (Z)-12-Henicosene-2,4-dione
    • 12-Heneicosene-2,4-dione, (Z)-
    • NSC 78719
    • NSC78719
    • (12Z)-henicos-12-ene-2,4-dione
    • 12-Heneicosene-2, (Z)-
    • SCHEMBL4099202
    • WLN: 9U8V1V1
    • 112-09-4

  • Applications

    cis-12-Heneicosene-2,4-dione (CAS 112-09-4) is primarily used as an intermediate in the synthesis of fragrance compounds and specialty aroma materials; it may serve as an odorant or fragrance ingredient in cosmetics and personal care products; in the materials field it provides a building block for polymers and for coatings formulations, including coatings and inks; it can also appear as a scent component in cleaning and household products; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.32
    methanol 100.95
    isopropanol 142.01
    water 0.02
    ethyl acetate 336.01
    n-propanol 139.92
    acetone 373.38
    n-butanol 164.46
    acetonitrile 101.38
    DMF 435.28
    toluene 142.51
    isobutanol 144.29
    1,4-dioxane 423.9
    methyl acetate 214.09
    THF 1097.55
    2-butanone 358.62
    n-pentanol 128.73
    sec-butanol 161.62
    n-hexane 59.05
    ethylene glycol 6.77
    NMP 753.74
    cyclohexane 217.22
    DMSO 590.59
    n-butyl acetate 347.04
    n-octanol 92.53
    chloroform 834.42
    n-propyl acetate 377.28
    acetic acid 122.56
    dichloromethane 796.66
    cyclohexanone 985.08
    propylene glycol 30.64
    isopropyl acetate 318.61
    DMAc 693.31
    2-ethoxyethanol 212.51
    isopentanol 204.87
    n-heptane 42.88
    ethyl formate 147.88
    1,2-dichloroethane 593.82
    n-hexanol 123.29
    2-methoxyethanol 247.74
    isobutyl acetate 277.77
    tetrachloromethane 176.42
    n-pentyl acetate 373.97
    transcutol 1179.73
    n-heptanol 84.7
    ethylbenzene 119.6
    MIBK 368.63
    2-propoxyethanol 255.16
    tert-butanol 249.43
    MTBE 333.76
    2-butoxyethanol 213.52
    propionic acid 129.27
    o-xylene 132.45
    formic acid 21.55
    diethyl ether 293.38
    m-xylene 124.89
    p-xylene 163.71
    chlorobenzene 243.33
    dimethyl carbonate 77.65
    n-octane 17.82
    formamide 42.3
    cyclopentanone 904.44
    2-pentanone 417.69
    anisole 243.13
    cyclopentyl methyl ether 591.85
    gamma-butyrolactone 716.55
    1-methoxy-2-propanol 281.6
    pyridine 352.19
    3-pentanone 304.32
    furfural 467.73
    n-dodecane 10.83
    diethylene glycol 104.88
    diisopropyl ether 126.03
    tert-amyl alcohol 231.58
    acetylacetone 471.54
    n-hexadecane 13.45
    acetophenone 276.95
    methyl propionate 241.07
    isopentyl acetate 356.8
    trichloroethylene 880.02
    n-nonanol 93.93
    cyclohexanol 327.47
    benzyl alcohol 147.55
    2-ethylhexanol 131.93
    isooctanol 99.55
    dipropyl ether 280.64
    1,2-dichlorobenzene 281.89
    ethyl lactate 131.23
    propylene carbonate 391.67
    n-methylformamide 121.3
    2-pentanol 144.52
    n-pentane 34.66
    1-propoxy-2-propanol 261.36
    1-methoxy-2-propyl acetate 340.07
    2-(2-methoxypropoxy) propanol 252.65
    mesitylene 97.88
    ε-caprolactone 701.49
    p-cymene 89.91
    epichlorohydrin 783.71
    1,1,1-trichloroethane 636.28
    2-aminoethanol 36.18
    morpholine-4-carbaldehyde 549.85
    sulfolane 1071.27
    2,2,4-trimethylpentane 32.71
    2-methyltetrahydrofuran 769.57
    n-hexyl acetate 405.15
    isooctane 20.14
    2-(2-butoxyethoxy)ethanol 332.28
    sec-butyl acetate 291.49
    tert-butyl acetate 429.75
    decalin 74.95
    glycerin 48.44
    diglyme 688.31
    acrylic acid 77.27
    isopropyl myristate 140.77
    n-butyric acid 335.48
    acetyl acetate 200.26
    di(2-ethylhexyl) phthalate 120.34
    ethyl propionate 304.55
    nitromethane 285.52
    1,2-diethoxyethane 427.41
    benzonitrile 191.53
    trioctyl phosphate 85.23
    1-bromopropane 373.14
    gamma-valerolactone 986.6
    n-decanol 63.21
    triethyl phosphate 165.52
    4-methyl-2-pentanol 111.65
    propionitrile 130.5
    vinylene carbonate 273.0
    1,1,2-trichlorotrifluoroethane 468.63
    DMS 211.87
    cumene 92.04
    2-octanol 76.19
    2-hexanone 367.74
    octyl acetate 166.76
    limonene 183.29
    1,2-dimethoxyethane 534.3
    ethyl orthosilicate 170.56
    tributyl phosphate 119.81
    diacetone alcohol 386.23
    N,N-dimethylaniline 187.51
    acrylonitrile 121.11
    aniline 153.06
    1,3-propanediol 84.34
    bromobenzene 275.74
    dibromomethane 540.45
    1,1,2,2-tetrachloroethane 928.09
    2-methyl-cyclohexyl acetate 303.53
    tetrabutyl urea 188.12
    diisobutyl methanol 101.8
    2-phenylethanol 141.1
    styrene 134.98
    dioctyl adipate 241.67
    dimethyl sulfate 182.87
    ethyl butyrate 317.85
    methyl lactate 109.56
    butyl lactate 244.82
    diethyl carbonate 173.53
    propanediol butyl ether 190.66
    triethyl orthoformate 260.22
    p-tert-butyltoluene 85.25
    methyl 4-tert-butylbenzoate 290.6
    morpholine 598.11
    tert-butylamine 172.88
    n-dodecanol 46.02
    dimethoxymethane 290.53
    ethylene carbonate 273.11
    cyrene 262.08
    2-ethoxyethyl acetate 382.6
    2-ethylhexyl acetate 300.44
    1,2,4-trichlorobenzene 336.35
    4-methylpyridine 383.72
    dibutyl ether 289.68
    2,6-dimethyl-4-heptanol 101.8
    DEF 460.73
    dimethyl isosorbide 535.81
    tetrachloroethylene 560.05
    eugenol 221.0
    triacetin 417.6
    span 80 236.98
    1,4-butanediol 35.5
    1,1-dichloroethane 515.04
    2-methyl-1-pentanol 156.91
    methyl formate 82.44
    2-methyl-1-butanol 181.67
    n-decane 24.51
    butyronitrile 196.88
    3,7-dimethyl-1-octanol 121.28
    1-chlorooctane 120.12
    1-chlorotetradecane 38.24
    n-nonane 24.52
    undecane 15.27
    tert-butylcyclohexane 51.94
    cyclooctane 44.94
    cyclopentanol 303.99
    tetrahydropyran 760.37
    tert-amyl methyl ether 295.16
    2,5,8-trioxanonane 458.55
    1-hexene 146.85
    2-isopropoxyethanol 198.52
    2,2,2-trifluoroethanol 50.36
    methyl butyrate 434.25

    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