1-[3,3-Dimethyl-1-(prop-2-en-1-yl)cyclohexyl]ethan-1-one

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  • Identifiers

    CAS number
    63229-33-4

    Molecular formula
    C13H22O

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.53%
    Herbal 54.74%
    Green 50.25%
    Woody 49.97%
    Floral 41.92%
    Fresh 40.38%
    Citrus 33.23%
    Mint 32.03%
    Earthy 31.43%
    Spicy 30.06%

     

    Flavor
    Woody 64.17%
    Fruity 47.51%
    Floral 43.54%
    Herbal 36.57%
    Sweet 32.04%
    Minty 29.15%
    Orris 27.93%
    Camphor 26.53%
    Spicy 26.28%
    Dry 25.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.27 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    248°C

    Flash point

    • 107.9 ˚C est.

  • Synonyms

    • 63229-33-4
    • SCHEMBL10457239
    • DTXSID60564375
    • 1-[3,3-Dimethyl-1-(prop-2-en-1-yl)cyclohexyl]ethan-1-one
    • 1-(1-Allyl-3,3-dimethylcyclohexyl)ethanone
    • 1-acetyl-3,3-dimethyl-1-(2-propenyl)cyclohexane
    • 1-acetyl-3,3-dimethyl-1-(2-propenyl) cyclohexane
    • 63229-33-4

  • Applications

    1-[3,3-Dimethyl-1-(prop-2-en-1-yl)cyclohexyl]ethan-1-one (CAS 63229-33-4) is commonly used as a fragrance ingredient and potential fixative, supporting odor intensity and longevity in fragrance formulations. In perfumery and cosmetics/personal care, it contributes to scent profiles in perfumes, lotions, and wipes; in household products, it can be used in cleaners, surface sprays, and air fresheners to impart a distinctive aroma. It may also function as an intermediate in fragrance synthesis during industrial manufacturing, and as an odorant additive in coatings, inks, and certain polymers/plastics. Formulations containing this compound are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.35
    methanol 210.75
    isopropanol 313.53
    water 0.57
    ethyl acetate 235.79
    n-propanol 271.51
    acetone 254.37
    n-butanol 291.48
    acetonitrile 187.52
    DMF 424.63
    toluene 334.1
    isobutanol 268.48
    1,4-dioxane 476.41
    methyl acetate 232.09
    THF 752.56
    2-butanone 326.01
    n-pentanol 201.73
    sec-butanol 305.86
    n-hexane 62.83
    ethylene glycol 56.31
    NMP 382.08
    cyclohexane 110.82
    DMSO 198.38
    n-butyl acetate 310.81
    n-octanol 221.11
    chloroform 848.89
    n-propyl acetate 159.83
    acetic acid 115.43
    dichloromethane 547.07
    cyclohexanone 532.67
    propylene glycol 114.01
    isopropyl acetate 199.87
    DMAc 371.01
    2-ethoxyethanol 187.04
    isopentanol 278.59
    n-heptane 75.02
    ethyl formate 172.88
    1,2-dichloroethane 309.92
    n-hexanol 435.99
    2-methoxyethanol 283.67
    isobutyl acetate 151.3
    tetrachloromethane 163.36
    n-pentyl acetate 202.25
    transcutol 501.78
    n-heptanol 214.19
    ethylbenzene 218.06
    MIBK 232.28
    2-propoxyethanol 402.17
    tert-butanol 402.38
    MTBE 330.82
    2-butoxyethanol 244.94
    propionic acid 166.9
    o-xylene 257.65
    formic acid 33.64
    diethyl ether 245.83
    m-xylene 285.99
    p-xylene 257.14
    chlorobenzene 324.38
    dimethyl carbonate 96.93
    n-octane 36.16
    formamide 47.98
    cyclopentanone 525.66
    2-pentanone 276.05
    anisole 297.65
    cyclopentyl methyl ether 349.91
    gamma-butyrolactone 445.28
    1-methoxy-2-propanol 316.74
    pyridine 385.83
    3-pentanone 221.36
    furfural 391.27
    n-dodecane 30.81
    diethylene glycol 238.62
    diisopropyl ether 122.43
    tert-amyl alcohol 325.76
    acetylacetone 264.4
    n-hexadecane 35.24
    acetophenone 250.25
    methyl propionate 195.23
    isopentyl acetate 316.49
    trichloroethylene 631.25
    n-nonanol 183.64
    cyclohexanol 348.9
    benzyl alcohol 227.31
    2-ethylhexanol 259.69
    isooctanol 172.71
    dipropyl ether 218.02
    1,2-dichlorobenzene 306.28
    ethyl lactate 122.62
    propylene carbonate 323.92
    n-methylformamide 151.74
    2-pentanol 245.51
    n-pentane 66.16
    1-propoxy-2-propanol 343.37
    1-methoxy-2-propyl acetate 310.79
    2-(2-methoxypropoxy) propanol 261.87
    mesitylene 202.92
    ε-caprolactone 412.89
    p-cymene 192.8
    epichlorohydrin 460.11
    1,1,1-trichloroethane 423.23
    2-aminoethanol 119.57
    morpholine-4-carbaldehyde 410.37
    sulfolane 444.8
    2,2,4-trimethylpentane 45.46
    2-methyltetrahydrofuran 505.91
    n-hexyl acetate 325.08
    isooctane 43.98
    2-(2-butoxyethoxy)ethanol 294.9
    sec-butyl acetate 153.18
    tert-butyl acetate 247.82
    decalin 76.18
    glycerin 133.14
    diglyme 433.56
    acrylic acid 129.22
    isopropyl myristate 150.65
    n-butyric acid 245.44
    acetyl acetate 152.04
    di(2-ethylhexyl) phthalate 153.98
    ethyl propionate 164.08
    nitromethane 191.56
    1,2-diethoxyethane 241.2
    benzonitrile 317.2
    trioctyl phosphate 121.9
    1-bromopropane 310.14
    gamma-valerolactone 551.17
    n-decanol 141.07
    triethyl phosphate 117.98
    4-methyl-2-pentanol 177.83
    propionitrile 275.01
    vinylene carbonate 295.5
    1,1,2-trichlorotrifluoroethane 308.16
    DMS 199.9
    cumene 177.61
    2-octanol 168.58
    2-hexanone 207.55
    octyl acetate 184.93
    limonene 243.05
    1,2-dimethoxyethane 356.7
    ethyl orthosilicate 117.07
    tributyl phosphate 126.29
    diacetone alcohol 269.68
    N,N-dimethylaniline 225.04
    acrylonitrile 255.3
    aniline 259.28
    1,3-propanediol 173.2
    bromobenzene 371.26
    dibromomethane 415.92
    1,1,2,2-tetrachloroethane 582.99
    2-methyl-cyclohexyl acetate 233.47
    tetrabutyl urea 165.53
    diisobutyl methanol 161.79
    2-phenylethanol 309.73
    styrene 219.09
    dioctyl adipate 180.07
    dimethyl sulfate 146.59
    ethyl butyrate 215.76
    methyl lactate 140.04
    butyl lactate 182.7
    diethyl carbonate 143.82
    propanediol butyl ether 248.28
    triethyl orthoformate 162.37
    p-tert-butyltoluene 194.33
    methyl 4-tert-butylbenzoate 283.28
    morpholine 484.53
    tert-butylamine 286.99
    n-dodecanol 115.23
    dimethoxymethane 260.29
    ethylene carbonate 252.27
    cyrene 230.87
    2-ethoxyethyl acetate 216.34
    2-ethylhexyl acetate 257.1
    1,2,4-trichlorobenzene 348.87
    4-methylpyridine 455.81
    dibutyl ether 192.43
    2,6-dimethyl-4-heptanol 161.79
    DEF 249.99
    dimethyl isosorbide 416.0
    tetrachloroethylene 338.8
    eugenol 247.2
    triacetin 239.93
    span 80 261.74
    1,4-butanediol 83.97
    1,1-dichloroethane 421.16
    2-methyl-1-pentanol 200.92
    methyl formate 132.32
    2-methyl-1-butanol 262.49
    n-decane 49.97
    butyronitrile 317.6
    3,7-dimethyl-1-octanol 213.46
    1-chlorooctane 160.45
    1-chlorotetradecane 76.62
    n-nonane 50.55
    undecane 37.66
    tert-butylcyclohexane 74.19
    cyclooctane 52.41
    cyclopentanol 332.37
    tetrahydropyran 510.96
    tert-amyl methyl ether 256.14
    2,5,8-trioxanonane 320.11
    1-hexene 176.05
    2-isopropoxyethanol 173.22
    2,2,2-trifluoroethanol 56.41
    methyl butyrate 217.09

    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