beta-Damascenone, (2Z)-

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  • Identifiers

    CAS number
    59739-63-8

    Molecular formula
    C13H18O

    SMILES
    C/C=C\C(=O)C1=C(C=CCC1(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 87.73%
    Floral 82.94%
    Woody 73.44%
    Rose 69.43%
    Sweet 64.92%
    Green 60.84%
    Apple 54.76%
    Tobacco 54.29%
    Berry 53.07%
    Plum 49.23%

     

    Flavor
    Sweet 54.84%
    Honey 39.2%
    Tobacco 38.39%
    Rose 32.92%
    Phenolic 32.44%
    Spicy 31.55%
    Minty 28.33%
    Dry 26.18%
    Herbal 26.12%
    Mint 25.9%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.15 (weak base)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    255°C

    Flash point

    • 124.9 ˚C est.

  • Synonyms

    • (Z)-beta-Damascenone
    • cis-Damascenone
    • beta-Damascenone, cis-
    • beta-Damascenone, (Z)-
    • beta-Damascenone, (2Z)-
    • I511R3SL51
    • 59739-63-8
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (2Z)-
    • RefChem:567818
    • UNII-I511R3SL51
    • Z-.beta.-Damascenone
    • (2Z)-beta-damascenone
    • (Z)-.BETA.-DAMASCENONE
    • SCHEMBL11448674
    • .BETA.-DAMASCENONE, CIS-
    • CHEBI:192551
    • DTXSID901378821
    • .BETA.-DAMASCENONE, (Z)-
    • .BETA.-DAMASCENONE, (2Z)-
    • Cis-2,6,6-trimethyl-1-crotonoyl-1,3-cyclohexadiene
    • Q27280453
    • (2Z)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one
    • 59739-63-8

  • Applications

    beta-Damascenone, (2Z)- CAS 59739-63-8 is widely used as a fragrance and flavor aroma compound, providing fruity, berry-like notes that enhance perfumery formulations and cosmetic products; in perfumery it acts as a key odorant and contributes to fruit-forward accords; in flavor applications it helps to impart strawberry/raspberry-like character to foods and beverages; in cosmetics and personal care it is commonly used as a fragrance ingredient; in household products it serves as a fragrance additive in detergents and cleaners; and in industrial manufacturing it may be used as an intermediate in the synthesis of other aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 670.25
    methanol 795.51
    isopropanol 580.41
    water 0.78
    ethyl acetate 495.17
    n-propanol 594.39
    acetone 598.15
    n-butanol 634.64
    acetonitrile 783.94
    DMF 899.66
    toluene 713.64
    isobutanol 474.47
    1,4-dioxane 1248.95
    methyl acetate 477.86
    THF 1923.61
    2-butanone 543.89
    n-pentanol 421.2
    sec-butanol 511.17
    n-hexane 263.98
    ethylene glycol 69.41
    NMP 833.12
    cyclohexane 518.7
    DMSO 326.59
    n-butyl acetate 488.67
    n-octanol 322.78
    chloroform 2090.89
    n-propyl acetate 294.7
    acetic acid 329.25
    dichloromethane 1527.02
    cyclohexanone 1127.86
    propylene glycol 115.24
    isopropyl acetate 296.38
    DMAc 437.87
    2-ethoxyethanol 254.9
    isopentanol 449.21
    n-heptane 194.54
    ethyl formate 397.95
    1,2-dichloroethane 811.82
    n-hexanol 725.26
    2-methoxyethanol 475.21
    isobutyl acetate 214.57
    tetrachloromethane 379.74
    n-pentyl acetate 292.84
    transcutol 510.26
    n-heptanol 297.29
    ethylbenzene 317.89
    MIBK 339.24
    2-propoxyethanol 558.56
    tert-butanol 513.19
    MTBE 469.97
    2-butoxyethanol 267.7
    propionic acid 325.73
    o-xylene 314.67
    formic acid 103.39
    diethyl ether 735.69
    m-xylene 462.85
    p-xylene 365.92
    chlorobenzene 695.47
    dimethyl carbonate 193.93
    n-octane 79.93
    formamide 147.01
    cyclopentanone 1112.61
    2-pentanone 554.35
    anisole 382.33
    cyclopentyl methyl ether 901.12
    gamma-butyrolactone 1036.26
    1-methoxy-2-propanol 417.87
    pyridine 996.23
    3-pentanone 399.45
    furfural 624.78
    n-dodecane 56.62
    diethylene glycol 273.71
    diisopropyl ether 212.94
    tert-amyl alcohol 408.31
    acetylacetone 378.86
    n-hexadecane 65.21
    acetophenone 298.18
    methyl propionate 396.14
    isopentyl acetate 405.34
    trichloroethylene 1401.82
    n-nonanol 256.68
    cyclohexanol 748.25
    benzyl alcohol 320.29
    2-ethylhexanol 371.8
    isooctanol 228.22
    dipropyl ether 403.33
    1,2-dichlorobenzene 487.45
    ethyl lactate 143.35
    propylene carbonate 589.1
    n-methylformamide 428.0
    2-pentanol 432.76
    n-pentane 264.17
    1-propoxy-2-propanol 398.23
    1-methoxy-2-propyl acetate 341.06
    2-(2-methoxypropoxy) propanol 223.94
    mesitylene 279.19
    ε-caprolactone 747.55
    p-cymene 209.11
    epichlorohydrin 1000.59
    1,1,1-trichloroethane 870.13
    2-aminoethanol 183.17
    morpholine-4-carbaldehyde 611.93
    sulfolane 767.58
    2,2,4-trimethylpentane 80.08
    2-methyltetrahydrofuran 1217.91
    n-hexyl acetate 465.59
    isooctane 77.49
    2-(2-butoxyethoxy)ethanol 305.03
    sec-butyl acetate 208.65
    tert-butyl acetate 308.19
    decalin 146.78
    glycerin 120.43
    diglyme 451.29
    acrylic acid 257.8
    isopropyl myristate 179.12
    n-butyric acid 536.58
    acetyl acetate 274.81
    di(2-ethylhexyl) phthalate 157.09
    ethyl propionate 278.76
    nitromethane 473.05
    1,2-diethoxyethane 330.22
    benzonitrile 504.87
    trioctyl phosphate 129.48
    1-bromopropane 801.1
    gamma-valerolactone 976.67
    n-decanol 184.97
    triethyl phosphate 144.19
    4-methyl-2-pentanol 229.55
    propionitrile 698.47
    vinylene carbonate 535.57
    1,1,2-trichlorotrifluoroethane 419.58
    DMS 271.28
    cumene 208.66
    2-octanol 237.89
    2-hexanone 354.89
    octyl acetate 227.13
    limonene 302.26
    1,2-dimethoxyethane 535.11
    ethyl orthosilicate 145.59
    tributyl phosphate 145.5
    diacetone alcohol 304.33
    N,N-dimethylaniline 263.58
    acrylonitrile 653.03
    aniline 516.18
    1,3-propanediol 276.11
    bromobenzene 759.44
    dibromomethane 1239.2
    1,1,2,2-tetrachloroethane 1003.0
    2-methyl-cyclohexyl acetate 264.99
    tetrabutyl urea 192.06
    diisobutyl methanol 174.8
    2-phenylethanol 389.84
    styrene 358.04
    dioctyl adipate 212.73
    dimethyl sulfate 218.79
    ethyl butyrate 298.43
    methyl lactate 160.67
    butyl lactate 210.55
    diethyl carbonate 207.24
    propanediol butyl ether 252.96
    triethyl orthoformate 205.73
    p-tert-butyltoluene 207.14
    methyl 4-tert-butylbenzoate 269.98
    morpholine 1344.44
    tert-butylamine 420.35
    n-dodecanol 137.83
    dimethoxymethane 607.9
    ethylene carbonate 473.11
    cyrene 237.79
    2-ethoxyethyl acetate 281.39
    2-ethylhexyl acetate 346.14
    1,2,4-trichlorobenzene 500.13
    4-methylpyridine 990.91
    dibutyl ether 303.33
    2,6-dimethyl-4-heptanol 174.8
    DEF 489.47
    dimethyl isosorbide 410.64
    tetrachloroethylene 667.67
    eugenol 251.04
    triacetin 248.86
    span 80 242.44
    1,4-butanediol 125.47
    1,1-dichloroethane 989.56
    2-methyl-1-pentanol 338.93
    methyl formate 362.02
    2-methyl-1-butanol 471.24
    n-decane 97.94
    butyronitrile 812.05
    3,7-dimethyl-1-octanol 249.08
    1-chlorooctane 274.29
    1-chlorotetradecane 108.52
    n-nonane 107.7
    undecane 73.22
    tert-butylcyclohexane 117.58
    cyclooctane 171.16
    cyclopentanol 697.66
    tetrahydropyran 1641.17
    tert-amyl methyl ether 346.99
    2,5,8-trioxanonane 312.02
    1-hexene 528.9
    2-isopropoxyethanol 204.26
    2,2,2-trifluoroethanol 114.72
    methyl butyrate 362.75

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.0077 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.088 %
Category 2
Products applied to the axillae
 0.0023 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.088 %
Category 3
Products applied to the face/body using fingertips
 0.046 % Category 8
Products with significant anogenital exposure
 0.0045 %
Category 4
Products related to fine fragrance
 0.043 % Category 9
Products with body and hand exposure, primarily rinse off
 0.084 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.011 % Category 10A
Household care products with mostly hand contact
 0.3 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.011 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.3 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.011 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.17 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.011 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.17 %
Category 6
Products with oral and lip exposure
 0.025 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction