Falcarinolone

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  • Identifiers

    CAS number
    18089-23-1

    Molecular formula
    C17H22O2

    SMILES
    CCCCCCC/C=C\C(C#CC#CC(=O)C=C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 37.55%
    Sweet 34.86%
    Metallic 33.48%
    Spicy 31.66%
    Citrus 31.33%
    Floral 28.64%
    Fatty 28.15%
    Fresh 27.48%
    Meaty 25.93%
    Waxy 25.0%

     

    Flavor
    Bitter 76.68%
    Odorless 27.82%
    Bland 23.19%
    Nitrile 20.54%
    Oriental 19.12%
    Cedarleaf 19.02%
    Lovage 18.36%
    Heather 17.9%
    Parsley 17.88%
    Sweet-like 17.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.11 (neutral)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    113°C

    Flash point

    • 184.62 ˚C est.

  • Synonyms

    • Falcarinolone
    • (9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
    • 18089-23-1
    • (Z)-8-Hydroxyheptadeca-1,9-dien-4,6-diyn-3-one
    • orb2563983
    • CHEBI:173841
    • DTXSID801237339
    • HY-N12952
    • LMFA05000659
    • CS-1098600
    • 8-Hydroxy-1,9-heptadecadien-4,6-diyn-3-one
    • (9Z)-8-Hydroxy-1,9-heptadecadiene-4,6-diyn-3-one
    • (9Z)-8-Hydroxyheptadeca-1,9-diene-4,6-diyn-3-one
    • 1,9-Heptadecadiene-4,6-diyn-3-one, 8-hydroxy-, (Z)-
    • 18089-23-1

  • Applications

    Falcarinolone (CAS 18089-23-1) is viewed as an intermediate in organic synthesis and is evaluated for its properties and potential applications; potential use areas include fragrance and flavor research, cosmetics and personal care, coatings and inks, and agricultural chemistry research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 473.21
    methanol 630.05
    isopropanol 248.82
    water 0.02
    ethyl acetate 649.49
    n-propanol 327.25
    acetone 1032.86
    n-butanol 248.28
    acetonitrile 269.51
    DMF 962.64
    toluene 164.77
    isobutanol 177.59
    1,4-dioxane 341.09
    methyl acetate 417.94
    THF 1066.87
    2-butanone 673.55
    n-pentanol 206.83
    sec-butanol 227.3
    n-hexane 19.48
    ethylene glycol 40.38
    NMP 649.98
    cyclohexane 26.86
    DMSO 1878.81
    n-butyl acetate 344.58
    n-octanol 57.52
    chloroform 512.07
    n-propyl acetate 352.57
    acetic acid 284.21
    dichloromethane 668.1
    cyclohexanone 718.97
    propylene glycol 104.77
    isopropyl acetate 344.56
    DMAc 874.69
    2-ethoxyethanol 357.13
    isopentanol 198.62
    n-heptane 9.21
    ethyl formate 189.68
    1,2-dichloroethane 712.68
    n-hexanol 172.39
    2-methoxyethanol 566.56
    isobutyl acetate 200.29
    tetrachloromethane 62.25
    n-pentyl acetate 186.9
    transcutol 1396.29
    n-heptanol 62.04
    ethylbenzene 76.8
    MIBK 316.51
    2-propoxyethanol 366.8
    tert-butanol 284.49
    MTBE 310.46
    2-butoxyethanol 170.08
    propionic acid 236.55
    o-xylene 89.74
    formic acid 79.42
    diethyl ether 384.01
    m-xylene 111.32
    p-xylene 84.24
    chlorobenzene 196.11
    dimethyl carbonate 150.27
    n-octane 4.59
    formamide 184.45
    cyclopentanone 1006.96
    2-pentanone 683.57
    anisole 190.42
    cyclopentyl methyl ether 488.77
    gamma-butyrolactone 755.29
    1-methoxy-2-propanol 479.59
    pyridine 417.33
    3-pentanone 423.4
    furfural 482.14
    n-dodecane 4.02
    diethylene glycol 235.41
    diisopropyl ether 98.72
    tert-amyl alcohol 234.84
    acetylacetone 691.7
    n-hexadecane 4.64
    acetophenone 221.38
    methyl propionate 491.07
    isopentyl acetate 287.41
    trichloroethylene 1011.89
    n-nonanol 53.9
    cyclohexanol 219.49
    benzyl alcohol 162.02
    2-ethylhexanol 98.62
    isooctanol 58.28
    dipropyl ether 141.92
    1,2-dichlorobenzene 183.43
    ethyl lactate 128.45
    propylene carbonate 329.99
    n-methylformamide 361.04
    2-pentanol 178.0
    n-pentane 13.56
    1-propoxy-2-propanol 278.46
    1-methoxy-2-propyl acetate 348.68
    2-(2-methoxypropoxy) propanol 188.63
    mesitylene 63.18
    ε-caprolactone 476.89
    p-cymene 45.08
    epichlorohydrin 952.92
    1,1,1-trichloroethane 392.48
    2-aminoethanol 139.98
    morpholine-4-carbaldehyde 470.83
    sulfolane 997.84
    2,2,4-trimethylpentane 12.56
    2-methyltetrahydrofuran 612.05
    n-hexyl acetate 212.7
    isooctane 11.04
    2-(2-butoxyethoxy)ethanol 270.65
    sec-butyl acetate 229.4
    tert-butyl acetate 375.08
    decalin 17.8
    glycerin 120.25
    diglyme 526.2
    acrylic acid 159.12
    isopropyl myristate 67.76
    n-butyric acid 351.75
    acetyl acetate 270.16
    di(2-ethylhexyl) phthalate 67.22
    ethyl propionate 282.28
    nitromethane 724.26
    1,2-diethoxyethane 391.3
    benzonitrile 179.99
    trioctyl phosphate 47.92
    1-bromopropane 313.35
    gamma-valerolactone 854.95
    n-decanol 39.43
    triethyl phosphate 87.04
    4-methyl-2-pentanol 99.59
    propionitrile 201.99
    vinylene carbonate 239.61
    1,1,2-trichlorotrifluoroethane 505.8
    DMS 199.03
    cumene 53.24
    2-octanol 45.12
    2-hexanone 357.71
    octyl acetate 84.53
    limonene 74.94
    1,2-dimethoxyethane 498.28
    ethyl orthosilicate 85.68
    tributyl phosphate 70.11
    diacetone alcohol 393.54
    N,N-dimethylaniline 121.35
    acrylonitrile 249.02
    aniline 180.39
    1,3-propanediol 198.62
    bromobenzene 203.7
    dibromomethane 426.01
    1,1,2,2-tetrachloroethane 762.29
    2-methyl-cyclohexyl acetate 149.84
    tetrabutyl urea 99.01
    diisobutyl methanol 65.12
    2-phenylethanol 145.66
    styrene 102.57
    dioctyl adipate 117.3
    dimethyl sulfate 282.09
    ethyl butyrate 220.72
    methyl lactate 168.78
    butyl lactate 152.99
    diethyl carbonate 127.27
    propanediol butyl ether 173.14
    triethyl orthoformate 131.91
    p-tert-butyltoluene 46.0
    methyl 4-tert-butylbenzoate 150.2
    morpholine 568.87
    tert-butylamine 135.24
    n-dodecanol 29.78
    dimethoxymethane 606.5
    ethylene carbonate 202.64
    cyrene 185.21
    2-ethoxyethyl acetate 305.99
    2-ethylhexyl acetate 204.88
    1,2,4-trichlorobenzene 224.19
    4-methylpyridine 412.45
    dibutyl ether 114.83
    2,6-dimethyl-4-heptanol 65.12
    DEF 564.96
    dimethyl isosorbide 324.73
    tetrachloroethylene 424.57
    eugenol 152.15
    triacetin 209.93
    span 80 151.56
    1,4-butanediol 88.46
    1,1-dichloroethane 502.5
    2-methyl-1-pentanol 176.23
    methyl formate 224.35
    2-methyl-1-butanol 188.06
    n-decane 6.72
    butyronitrile 223.58
    3,7-dimethyl-1-octanol 76.12
    1-chlorooctane 45.24
    1-chlorotetradecane 16.69
    n-nonane 6.17
    undecane 4.96
    tert-butylcyclohexane 17.49
    cyclooctane 7.94
    cyclopentanol 224.87
    tetrahydropyran 533.09
    tert-amyl methyl ether 228.3
    2,5,8-trioxanonane 321.5
    1-hexene 113.08
    2-isopropoxyethanol 245.78
    2,2,2-trifluoroethanol 69.58
    methyl butyrate 374.11

    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