1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one

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  • Identifiers

    CAS number
    56915-02-7

    Molecular formula
    C13H20O2

    SMILES
    CC=CC(=O)C1=C(CC(CC1(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.77%
    Woody 59.15%
    Fruity 58.44%
    Sweet 57.54%
    Mint 49.02%
    Rose 48.59%
    Tobacco 43.35%
    Herbal 40.91%
    Tea 35.69%
    Berry 34.46%

     

    Flavor
    Sweet 42.71%
    Minty 33.34%
    Spicy 29.53%
    Phenolic 29.17%
    Tobacco 28.85%
    Woody 24.01%
    Fruity 23.58%
    Honey 23.53%
    Mint 22.84%
    Powdery 22.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.75 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 142.55 ˚C est.

  • Synonyms

    • 56915-02-7
    • 1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
    • 3-Hydroxydamascone
    • SCHEMBL11788411
    • DTXSID301315978
    • DB-290750
    • NS00054380
    • 1-(4-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE
    • 56915-02-7

  • Applications

    1-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is typically used in perfumery as a fragrance ingredient or aroma intermediate, contributing a woody/green note; it is also employed in cosmetics and personal-care formulations as a scent component; in household products such as cleaners and air fresheners it serves as a fragrance additive to impart distinct odor profiles; in industrial manufacturing it is used as an intermediate for the synthesis of other terpene-derived aroma materials; and it may be evaluated as a chemical building block for specialty coatings/inks and related odor-formulation applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1027.8
    methanol 1650.92
    isopropanol 684.3
    water 2.61
    ethyl acetate 426.24
    n-propanol 696.97
    acetone 660.81
    n-butanol 592.8
    acetonitrile 770.78
    DMF 893.1
    toluene 325.46
    isobutanol 432.43
    1,4-dioxane 1133.49
    methyl acetate 427.8
    THF 1992.55
    2-butanone 387.31
    n-pentanol 378.0
    sec-butanol 424.59
    n-hexane 70.01
    ethylene glycol 151.94
    NMP 674.44
    cyclohexane 133.13
    DMSO 444.43
    n-butyl acetate 289.54
    n-octanol 201.28
    chloroform 1134.58
    n-propyl acetate 219.84
    acetic acid 580.08
    dichloromethane 926.09
    cyclohexanone 774.49
    propylene glycol 209.62
    isopropyl acetate 240.87
    DMAc 347.57
    2-ethoxyethanol 328.52
    isopentanol 351.98
    n-heptane 55.85
    ethyl formate 407.39
    1,2-dichloroethane 491.26
    n-hexanol 550.0
    2-methoxyethanol 735.09
    isobutyl acetate 146.34
    tetrachloromethane 160.65
    n-pentyl acetate 185.28
    transcutol 548.07
    n-heptanol 197.64
    ethylbenzene 121.34
    MIBK 232.59
    2-propoxyethanol 601.26
    tert-butanol 544.68
    MTBE 315.27
    2-butoxyethanol 232.73
    propionic acid 413.41
    o-xylene 143.88
    formic acid 304.38
    diethyl ether 521.45
    m-xylene 222.48
    p-xylene 151.83
    chlorobenzene 354.33
    dimethyl carbonate 174.22
    n-octane 20.54
    formamide 289.71
    cyclopentanone 934.85
    2-pentanone 409.32
    anisole 203.09
    cyclopentyl methyl ether 625.85
    gamma-butyrolactone 1068.95
    1-methoxy-2-propanol 548.26
    pyridine 667.45
    3-pentanone 244.46
    furfural 599.45
    n-dodecane 16.97
    diethylene glycol 397.88
    diisopropyl ether 120.97
    tert-amyl alcohol 319.39
    acetylacetone 347.57
    n-hexadecane 19.54
    acetophenone 171.37
    methyl propionate 335.93
    isopentyl acetate 234.07
    trichloroethylene 798.47
    n-nonanol 157.22
    cyclohexanol 526.83
    benzyl alcohol 211.1
    2-ethylhexanol 211.9
    isooctanol 139.28
    dipropyl ether 216.17
    1,2-dichlorobenzene 232.93
    ethyl lactate 119.64
    propylene carbonate 521.71
    n-methylformamide 602.6
    2-pentanol 328.15
    n-pentane 86.34
    1-propoxy-2-propanol 350.37
    1-methoxy-2-propyl acetate 277.8
    2-(2-methoxypropoxy) propanol 170.17
    mesitylene 119.41
    ε-caprolactone 585.04
    p-cymene 87.63
    epichlorohydrin 889.75
    1,1,1-trichloroethane 421.98
    2-aminoethanol 329.49
    morpholine-4-carbaldehyde 554.62
    sulfolane 718.63
    2,2,4-trimethylpentane 29.04
    2-methyltetrahydrofuran 967.29
    n-hexyl acetate 287.9
    isooctane 27.85
    2-(2-butoxyethoxy)ethanol 256.17
    sec-butyl acetate 135.98
    tert-butyl acetate 228.04
    decalin 41.9
    glycerin 242.19
    diglyme 390.68
    acrylic acid 331.17
    isopropyl myristate 97.69
    n-butyric acid 549.66
    acetyl acetate 256.55
    di(2-ethylhexyl) phthalate 100.36
    ethyl propionate 192.77
    nitromethane 765.47
    1,2-diethoxyethane 225.69
    benzonitrile 314.88
    trioctyl phosphate 86.36
    1-bromopropane 387.7
    gamma-valerolactone 907.96
    n-decanol 111.66
    triethyl phosphate 84.18
    4-methyl-2-pentanol 162.0
    propionitrile 519.42
    vinylene carbonate 465.78
    1,1,2-trichlorotrifluoroethane 395.54
    DMS 192.8
    cumene 83.98
    2-octanol 141.07
    2-hexanone 236.3
    octyl acetate 128.76
    limonene 126.99
    1,2-dimethoxyethane 510.9
    ethyl orthosilicate 84.75
    tributyl phosphate 94.45
    diacetone alcohol 269.25
    N,N-dimethylaniline 131.25
    acrylonitrile 556.34
    aniline 342.31
    1,3-propanediol 432.67
    bromobenzene 318.91
    dibromomethane 634.98
    1,1,2,2-tetrachloroethane 552.92
    2-methyl-cyclohexyl acetate 148.08
    tetrabutyl urea 116.21
    diisobutyl methanol 103.58
    2-phenylethanol 253.98
    styrene 138.56
    dioctyl adipate 122.17
    dimethyl sulfate 210.75
    ethyl butyrate 176.22
    methyl lactate 179.7
    butyl lactate 152.23
    diethyl carbonate 120.06
    propanediol butyl ether 237.39
    triethyl orthoformate 124.74
    p-tert-butyltoluene 89.79
    methyl 4-tert-butylbenzoate 171.48
    morpholine 1241.89
    tert-butylamine 339.71
    n-dodecanol 81.75
    dimethoxymethane 652.78
    ethylene carbonate 411.37
    cyrene 188.51
    2-ethoxyethyl acetate 204.9
    2-ethylhexyl acetate 183.99
    1,2,4-trichlorobenzene 258.09
    4-methylpyridine 633.1
    dibutyl ether 148.34
    2,6-dimethyl-4-heptanol 103.58
    DEF 332.15
    dimethyl isosorbide 301.25
    tetrachloroethylene 367.88
    eugenol 169.98
    triacetin 176.2
    span 80 188.15
    1,4-butanediol 167.73
    1,1-dichloroethane 563.36
    2-methyl-1-pentanol 242.58
    methyl formate 540.93
    2-methyl-1-butanol 330.36
    n-decane 31.68
    butyronitrile 572.03
    3,7-dimethyl-1-octanol 149.66
    1-chlorooctane 114.54
    1-chlorotetradecane 42.57
    n-nonane 31.95
    undecane 22.64
    tert-butylcyclohexane 38.36
    cyclooctane 38.26
    cyclopentanol 617.23
    tetrahydropyran 1207.03
    tert-amyl methyl ether 206.67
    2,5,8-trioxanonane 250.23
    1-hexene 205.99
    2-isopropoxyethanol 206.7
    2,2,2-trifluoroethanol 178.93
    methyl butyrate 256.35

    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