Echinolone

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  • Identifiers

    CAS number
    59440-97-0

    Molecular formula
    C14H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 81.07%
    Woody 67.58%
    Sweet 59.12%
    Fresh 56.54%
    Rose 50.12%
    Fruity 45.4%
    Citrus 45.37%
    Green 39.64%
    Waxy 37.62%
    Lily 34.5%

     

    Flavor
    Floral 74.75%
    Woody 58.83%
    Green 54.22%
    Sweet 47.27%
    Citrus 45.74%
    Tropical 39.1%
    Lavender 37.47%
    Fruity 37.34%
    Flower 36.17%
    Herbal 36.04%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.41 (weak base)

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 136.78 ˚C est.

  • Synonyms

    • Echinolone
    • 59440-97-0
    • (E)-10-Hydroxy-4,10-dimethyl-4,11-dodecadien-2-one
    • RefChem:136230
    • (4E)-10-hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
    • (E)-10-Hydroxy-4,10-dimethyldodeca-4,11-dien-2-one
    • starbld0007374
    • SCHEMBL4135381
    • 59440-97-0

  • Applications

    Echinolone (CAS 59440-97-0) is primarily used as an intermediate in organic synthesis and can function as a solvent or co-solvent in specialized formulations; it also serves as a processing aid in polymers and in coating and ink systems, and is commonly evaluated as a building block for pharmaceutical synthesis. Additionally, it may be considered for cosmetics/personal care formulations or fragrance-related applications, depending on formulation goals and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 926.84
    methanol 1002.3
    isopropanol 711.06
    water 0.36
    ethyl acetate 360.75
    n-propanol 602.97
    acetone 391.46
    n-butanol 563.26
    acetonitrile 177.05
    DMF 406.15
    toluene 111.74
    isobutanol 407.25
    1,4-dioxane 696.74
    methyl acetate 266.58
    THF 1095.13
    2-butanone 369.81
    n-pentanol 434.25
    sec-butanol 514.69
    n-hexane 68.47
    ethylene glycol 81.68
    NMP 263.04
    cyclohexane 50.55
    DMSO 399.23
    n-butyl acetate 271.88
    n-octanol 218.3
    chloroform 425.44
    n-propyl acetate 220.27
    acetic acid 236.77
    dichloromethane 282.77
    cyclohexanone 379.75
    propylene glycol 234.12
    isopropyl acetate 269.46
    DMAc 495.07
    2-ethoxyethanol 533.8
    isopentanol 455.32
    n-heptane 36.45
    ethyl formate 152.24
    1,2-dichloroethane 186.54
    n-hexanol 520.45
    2-methoxyethanol 727.55
    isobutyl acetate 188.2
    tetrachloromethane 49.55
    n-pentyl acetate 168.16
    transcutol 1656.27
    n-heptanol 184.02
    ethylbenzene 89.87
    MIBK 273.26
    2-propoxyethanol 717.86
    tert-butanol 806.06
    MTBE 568.08
    2-butoxyethanol 313.36
    propionic acid 212.24
    o-xylene 84.45
    formic acid 86.14
    diethyl ether 455.36
    m-xylene 102.15
    p-xylene 104.71
    chlorobenzene 99.34
    dimethyl carbonate 65.67
    n-octane 17.38
    formamide 82.73
    cyclopentanone 341.05
    2-pentanone 342.95
    anisole 211.77
    cyclopentyl methyl ether 375.16
    gamma-butyrolactone 310.68
    1-methoxy-2-propanol 681.51
    pyridine 204.32
    3-pentanone 204.0
    furfural 246.29
    n-dodecane 15.98
    diethylene glycol 419.37
    diisopropyl ether 153.04
    tert-amyl alcohol 541.2
    acetylacetone 280.45
    n-hexadecane 17.73
    acetophenone 159.54
    methyl propionate 224.69
    isopentyl acetate 276.04
    trichloroethylene 298.03
    n-nonanol 187.42
    cyclohexanol 352.18
    benzyl alcohol 172.07
    2-ethylhexanol 244.29
    isooctanol 148.75
    dipropyl ether 234.69
    1,2-dichlorobenzene 101.7
    ethyl lactate 126.58
    propylene carbonate 179.44
    n-methylformamide 163.98
    2-pentanol 400.08
    n-pentane 48.08
    1-propoxy-2-propanol 494.33
    1-methoxy-2-propyl acetate 329.09
    2-(2-methoxypropoxy) propanol 346.88
    mesitylene 74.0
    ε-caprolactone 349.92
    p-cymene 67.37
    epichlorohydrin 407.02
    1,1,1-trichloroethane 201.15
    2-aminoethanol 246.22
    morpholine-4-carbaldehyde 459.96
    sulfolane 311.99
    2,2,4-trimethylpentane 31.01
    2-methyltetrahydrofuran 605.79
    n-hexyl acetate 302.59
    isooctane 30.64
    2-(2-butoxyethoxy)ethanol 502.35
    sec-butyl acetate 189.33
    tert-butyl acetate 322.1
    decalin 40.38
    glycerin 231.4
    diglyme 701.43
    acrylic acid 115.92
    isopropyl myristate 117.1
    n-butyric acid 367.9
    acetyl acetate 149.43
    di(2-ethylhexyl) phthalate 108.32
    ethyl propionate 180.17
    nitromethane 249.3
    1,2-diethoxyethane 448.43
    benzonitrile 151.29
    trioctyl phosphate 80.51
    1-bromopropane 189.38
    gamma-valerolactone 522.19
    n-decanol 136.35
    triethyl phosphate 91.24
    4-methyl-2-pentanol 254.86
    propionitrile 198.78
    vinylene carbonate 150.55
    1,1,2-trichlorotrifluoroethane 282.64
    DMS 149.92
    cumene 75.82
    2-octanol 136.15
    2-hexanone 281.84
    octyl acetate 142.41
    limonene 113.45
    1,2-dimethoxyethane 720.75
    ethyl orthosilicate 101.97
    tributyl phosphate 104.21
    diacetone alcohol 393.18
    N,N-dimethylaniline 159.58
    acrylonitrile 159.4
    aniline 154.28
    1,3-propanediol 380.56
    bromobenzene 90.68
    dibromomethane 206.14
    1,1,2,2-tetrachloroethane 307.39
    2-methyl-cyclohexyl acetate 186.58
    tetrabutyl urea 129.76
    diisobutyl methanol 133.22
    2-phenylethanol 208.85
    styrene 92.06
    dioctyl adipate 154.19
    dimethyl sulfate 94.32
    ethyl butyrate 184.71
    methyl lactate 141.76
    butyl lactate 165.06
    diethyl carbonate 110.33
    propanediol butyl ether 370.96
    triethyl orthoformate 147.15
    p-tert-butyltoluene 68.92
    methyl 4-tert-butylbenzoate 182.05
    morpholine 863.85
    tert-butylamine 446.98
    n-dodecanol 101.82
    dimethoxymethane 412.33
    ethylene carbonate 141.74
    cyrene 216.24
    2-ethoxyethyl acetate 242.48
    2-ethylhexyl acetate 207.83
    1,2,4-trichlorobenzene 123.22
    4-methylpyridine 251.01
    dibutyl ether 250.18
    2,6-dimethyl-4-heptanol 133.22
    DEF 283.41
    dimethyl isosorbide 430.85
    tetrachloroethylene 173.81
    eugenol 183.82
    triacetin 240.3
    span 80 298.73
    1,4-butanediol 169.12
    1,1-dichloroethane 237.1
    2-methyl-1-pentanol 344.38
    methyl formate 104.88
    2-methyl-1-butanol 372.23
    n-decane 30.14
    butyronitrile 265.32
    3,7-dimethyl-1-octanol 225.29
    1-chlorooctane 106.86
    1-chlorotetradecane 43.29
    n-nonane 29.91
    undecane 21.03
    tert-butylcyclohexane 49.14
    cyclooctane 22.29
    cyclopentanol 287.68
    tetrahydropyran 690.01
    tert-amyl methyl ether 375.44
    2,5,8-trioxanonane 489.95
    1-hexene 228.34
    2-isopropoxyethanol 395.71
    2,2,2-trifluoroethanol 51.16
    methyl butyrate 230.61

    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