alpha-Damascenone

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  • Identifiers

    CAS number
    35044-63-4

    Molecular formula
    C13H18O

    SMILES
    C/C=C/C(=O)C1C(=CC=CC1(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.55%
    Floral 76.15%
    Sweet 67.97%
    Woody 64.38%
    Green 61.23%
    Rose 60.16%
    Herbal 58.72%
    Mint 55.05%
    Apple 52.02%
    Spicy 50.01%

     

    Flavor
    Sweet 28.49%
    Minty 26.62%
    Spicy 25.8%
    Spice 25.22%
    Phenolic 24.06%
    Honey 23.4%
    Mint 22.75%
    Basil 21.36%
    Tobacco 20.25%
    Licorice 20.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.88 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 121.93 ˚C est.

  • Synonyms

    • alpha-Damascenone
    • 35044-63-4
    • RefChem:555688
    • .ALPHA.-DAMASCENONE
    • 2885IA3NW1
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-2,4-cyclohexadien-1-yl)-
    • alpha-Damascenone-, (E)-
    • UNII-38EN0KQ56X
    • 38EN0KQ56X
    • trans-2,6,6-Trimethyl-1-(2-butenoyl)cyclohexa-2,4-diene
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-2,4-cyclohexadien-1-yl)-, (2E)-
    • 2-Buten-1-one, 1-(2,6,6-trimethyl-2,4-cyclohexadien-1-yl)-, (E)-
    • 41641-03-6
    • (E)-alpha-damascenone-
    • (E)-.alpha.-Damascenone
    • SCHEMBL3002852
    • JGBBQKAJVHEQJM-FNORWQNLSA-N
    • DTXSID101019877
    • (2E)-1-(2,6,6-trimethylcyclohexa-2,4-dien-1-yl)but-2-en-1-one
    • .ALPHA.-DAMASCENONE-, (E)-
    • Q27256779
    • 1-(2,6,6-trimethyl-2,4-cyclohexadien-1-yl)-2-Buten-1-one
    • 35044-63-4

  • Applications

    Alpha-Damascenone, CAS 35044-63-4, is primarily used as an aroma chemical in perfumery to impart fruity, complex notes. It is also employed as a flavor ingredient in certain food and beverage formulations. In cosmetics and personal care, it often enhances fruity notes in products such as fragrances, serums, and creams. In household products, it is used to boost the fragrance and lasting scent of cleaners and air fresheners. Additionally, alpha-Damascenone may be used as an aroma additive in coatings, inks, and packaging formulations to impart scented characteristics to finished products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 659.88
    methanol 797.56
    isopropanol 575.76
    water 1.22
    ethyl acetate 487.73
    n-propanol 568.14
    acetone 616.59
    n-butanol 590.32
    acetonitrile 785.71
    DMF 824.93
    toluene 627.91
    isobutanol 462.94
    1,4-dioxane 1196.97
    methyl acetate 469.2
    THF 1890.86
    2-butanone 531.89
    n-pentanol 385.97
    sec-butanol 485.49
    n-hexane 239.62
    ethylene glycol 77.75
    NMP 812.68
    cyclohexane 503.58
    DMSO 344.77
    n-butyl acetate 457.62
    n-octanol 295.35
    chloroform 2006.83
    n-propyl acetate 281.79
    acetic acid 351.39
    dichloromethane 1430.69
    cyclohexanone 1087.12
    propylene glycol 129.6
    isopropyl acetate 285.0
    DMAc 446.67
    2-ethoxyethanol 242.34
    isopentanol 429.0
    n-heptane 187.12
    ethyl formate 393.93
    1,2-dichloroethane 760.75
    n-hexanol 688.72
    2-methoxyethanol 458.8
    isobutyl acetate 202.64
    tetrachloromethane 342.72
    n-pentyl acetate 259.46
    transcutol 553.33
    n-heptanol 274.02
    ethylbenzene 286.26
    MIBK 329.64
    2-propoxyethanol 530.76
    tert-butanol 531.61
    MTBE 461.42
    2-butoxyethanol 254.56
    propionic acid 337.75
    o-xylene 296.68
    formic acid 112.29
    diethyl ether 695.06
    m-xylene 423.46
    p-xylene 334.46
    chlorobenzene 622.57
    dimethyl carbonate 191.87
    n-octane 69.02
    formamide 149.66
    cyclopentanone 1092.22
    2-pentanone 536.75
    anisole 356.08
    cyclopentyl methyl ether 854.16
    gamma-butyrolactone 1063.46
    1-methoxy-2-propanol 403.44
    pyridine 904.94
    3-pentanone 392.49
    furfural 620.3
    n-dodecane 48.68
    diethylene glycol 282.5
    diisopropyl ether 200.07
    tert-amyl alcohol 403.27
    acetylacetone 379.58
    n-hexadecane 55.94
    acetophenone 280.91
    methyl propionate 381.88
    isopentyl acetate 385.22
    trichloroethylene 1334.81
    n-nonanol 237.73
    cyclohexanol 722.04
    benzyl alcohol 301.22
    2-ethylhexanol 342.84
    isooctanol 208.81
    dipropyl ether 379.19
    1,2-dichlorobenzene 456.97
    ethyl lactate 147.53
    propylene carbonate 604.51
    n-methylformamide 412.44
    2-pentanol 414.76
    n-pentane 246.37
    1-propoxy-2-propanol 382.76
    1-methoxy-2-propyl acetate 338.94
    2-(2-methoxypropoxy) propanol 233.59
    mesitylene 251.91
    ε-caprolactone 726.9
    p-cymene 192.14
    epichlorohydrin 960.33
    1,1,1-trichloroethane 828.99
    2-aminoethanol 191.3
    morpholine-4-carbaldehyde 600.29
    sulfolane 805.19
    2,2,4-trimethylpentane 74.27
    2-methyltetrahydrofuran 1191.6
    n-hexyl acetate 430.45
    isooctane 70.25
    2-(2-butoxyethoxy)ethanol 310.07
    sec-butyl acetate 196.05
    tert-butyl acetate 298.99
    decalin 133.31
    glycerin 137.41
    diglyme 457.5
    acrylic acid 273.24
    isopropyl myristate 167.53
    n-butyric acid 530.64
    acetyl acetate 273.17
    di(2-ethylhexyl) phthalate 154.31
    ethyl propionate 264.39
    nitromethane 504.32
    1,2-diethoxyethane 314.84
    benzonitrile 479.33
    trioctyl phosphate 122.48
    1-bromopropane 722.49
    gamma-valerolactone 971.57
    n-decanol 172.38
    triethyl phosphate 144.12
    4-methyl-2-pentanol 218.92
    propionitrile 637.28
    vinylene carbonate 537.98
    1,1,2-trichlorotrifluoroethane 438.17
    DMS 262.18
    cumene 189.93
    2-octanol 212.1
    2-hexanone 342.84
    octyl acetate 211.73
    limonene 281.3
    1,2-dimethoxyethane 518.23
    ethyl orthosilicate 141.11
    tributyl phosphate 139.21
    diacetone alcohol 304.59
    N,N-dimethylaniline 244.52
    acrylonitrile 606.84
    aniline 476.77
    1,3-propanediol 275.71
    bromobenzene 678.27
    dibromomethane 1167.04
    1,1,2,2-tetrachloroethane 978.87
    2-methyl-cyclohexyl acetate 260.43
    tetrabutyl urea 183.05
    diisobutyl methanol 169.18
    2-phenylethanol 367.74
    styrene 317.59
    dioctyl adipate 206.89
    dimethyl sulfate 225.15
    ethyl butyrate 293.43
    methyl lactate 169.02
    butyl lactate 201.56
    diethyl carbonate 207.28
    propanediol butyl ether 252.67
    triethyl orthoformate 200.0
    p-tert-butyltoluene 189.7
    methyl 4-tert-butylbenzoate 266.72
    morpholine 1264.54
    tert-butylamine 431.32
    n-dodecanol 128.83
    dimethoxymethane 572.91
    ethylene carbonate 471.5
    cyrene 246.78
    2-ethoxyethyl acetate 263.69
    2-ethylhexyl acetate 323.75
    1,2,4-trichlorobenzene 475.74
    4-methylpyridine 881.89
    dibutyl ether 279.68
    2,6-dimethyl-4-heptanol 169.18
    DEF 464.21
    dimethyl isosorbide 417.53
    tetrachloroethylene 642.45
    eugenol 239.32
    triacetin 249.71
    span 80 243.73
    1,4-butanediol 125.93
    1,1-dichloroethane 925.84
    2-methyl-1-pentanol 307.06
    methyl formate 366.14
    2-methyl-1-butanol 442.43
    n-decane 85.8
    butyronitrile 749.18
    3,7-dimethyl-1-octanol 238.36
    1-chlorooctane 244.14
    1-chlorotetradecane 97.34
    n-nonane 95.25
    undecane 63.81
    tert-butylcyclohexane 107.59
    cyclooctane 159.71
    cyclopentanol 701.15
    tetrahydropyran 1537.98
    tert-amyl methyl ether 339.46
    2,5,8-trioxanonane 325.37
    1-hexene 476.86
    2-isopropoxyethanol 192.61
    2,2,2-trifluoroethanol 128.24
    methyl butyrate 350.65

    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