3-Cyclohexen-1-ol, 3,5,5-trimethyl-, acetate

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  • Identifiers

    CAS number
    22463-33-8

    Molecular formula
    C11H18O2

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 76.41%
    Fruity 69.86%
    Herbal 69.41%
    Green 61.93%
    Sweet 58.53%
    Woody 57.62%
    Spicy 49.35%
    Fresh 48.21%
    Rose 46.69%
    Mint 46.11%

     

    Flavor
    Sweet 78.81%
    Woody 60.2%
    Herbal 54.58%
    Fruity 54.25%
    Tobacco 39.62%
    Tropical 37.52%
    Camphor 37.09%
    Raspberry 35.07%
    Floral 34.11%
    Citrus 34.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.34 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point

    • 102.01 ˚C est.

  • Synonyms

    • 3-Cyclohexen-1-ol, 3,5,5-trimethyl-, acetate
    • RefChem:500712
    • 3,5,5-Trimethylcyclohex-3-en-1-yl acetate
    • 22463-33-8
    • EINECS 245-017-6
    • AI3-34004
    • SCHEMBL11607148
    • DTXSID60945145
    • NS00049547
    • 3,5,5-Trimethyl-cyclohex-3-en-1-yl acetate
    • 22463-33-8

  • Applications

    3-Cyclohexen-1-ol, 3,5,5-trimethyl-, acetate (CAS 22463-33-8) is used primarily in fragrance chemistry as an odorant and fixative to help build and stabilize green, woody, and fruity notes in perfumery. In cosmetics and personal care, it functions as a fragrance ingredient within creams, lotions, and scented products to provide lasting scent. In household products, it is employed as a scent component in air fresheners, detergents, and cleaning formulations. In industrial manufacturing, it is evaluated as an intermediate for fragrance synthesis, serving as a building block to synthesize related aroma compounds. It may also appear in coatings or inks as a minor odorant to tailor fragrance profiles, subject to formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 439.17
    methanol 669.62
    isopropanol 288.11
    water 6.19
    ethyl acetate 344.43
    n-propanol 295.95
    acetone 347.76
    n-butanol 286.24
    acetonitrile 360.93
    DMF 613.84
    toluene 203.21
    isobutanol 230.09
    1,4-dioxane 884.8
    methyl acetate 313.86
    THF 1139.55
    2-butanone 258.52
    n-pentanol 184.34
    sec-butanol 243.41
    n-hexane 66.41
    ethylene glycol 118.93
    NMP 698.28
    cyclohexane 133.01
    DMSO 280.04
    n-butyl acetate 270.09
    n-octanol 221.7
    chloroform 935.55
    n-propyl acetate 192.84
    acetic acid 545.13
    dichloromethane 702.8
    cyclohexanone 536.94
    propylene glycol 180.74
    isopropyl acetate 221.25
    DMAc 455.62
    2-ethoxyethanol 219.31
    isopentanol 228.65
    n-heptane 63.46
    ethyl formate 290.98
    1,2-dichloroethane 323.45
    n-hexanol 399.54
    2-methoxyethanol 502.52
    isobutyl acetate 143.04
    tetrachloromethane 127.51
    n-pentyl acetate 180.78
    transcutol 1040.37
    n-heptanol 168.63
    ethylbenzene 115.76
    MIBK 167.61
    2-propoxyethanol 503.82
    tert-butanol 366.27
    MTBE 251.92
    2-butoxyethanol 228.76
    propionic acid 313.87
    o-xylene 146.82
    formic acid 242.03
    diethyl ether 276.21
    m-xylene 172.02
    p-xylene 154.38
    chlorobenzene 271.1
    dimethyl carbonate 165.06
    n-octane 22.31
    formamide 214.05
    cyclopentanone 532.1
    2-pentanone 241.58
    anisole 217.36
    cyclopentyl methyl ether 463.06
    gamma-butyrolactone 731.34
    1-methoxy-2-propanol 384.81
    pyridine 388.43
    3-pentanone 199.42
    furfural 600.72
    n-dodecane 22.92
    diethylene glycol 373.35
    diisopropyl ether 103.73
    tert-amyl alcohol 278.69
    acetylacetone 304.17
    n-hexadecane 25.71
    acetophenone 201.14
    methyl propionate 278.85
    isopentyl acetate 235.72
    trichloroethylene 654.61
    n-nonanol 186.8
    cyclohexanol 353.06
    benzyl alcohol 189.41
    2-ethylhexanol 206.92
    isooctanol 125.3
    dipropyl ether 207.54
    1,2-dichlorobenzene 255.18
    ethyl lactate 130.21
    propylene carbonate 494.27
    n-methylformamide 318.13
    2-pentanol 183.68
    n-pentane 64.32
    1-propoxy-2-propanol 328.65
    1-methoxy-2-propyl acetate 313.97
    2-(2-methoxypropoxy) propanol 291.82
    mesitylene 113.58
    ε-caprolactone 523.23
    p-cymene 107.32
    epichlorohydrin 603.26
    1,1,1-trichloroethane 374.11
    2-aminoethanol 217.64
    morpholine-4-carbaldehyde 719.59
    sulfolane 572.16
    2,2,4-trimethylpentane 35.54
    2-methyltetrahydrofuran 653.18
    n-hexyl acetate 344.61
    isooctane 26.83
    2-(2-butoxyethoxy)ethanol 387.97
    sec-butyl acetate 138.24
    tert-butyl acetate 233.47
    decalin 55.11
    glycerin 224.01
    diglyme 539.43
    acrylic acid 267.94
    isopropyl myristate 138.23
    n-butyric acid 394.44
    acetyl acetate 302.97
    di(2-ethylhexyl) phthalate 154.13
    ethyl propionate 197.5
    nitromethane 589.88
    1,2-diethoxyethane 280.79
    benzonitrile 284.74
    trioctyl phosphate 113.49
    1-bromopropane 231.43
    gamma-valerolactone 766.07
    n-decanol 137.94
    triethyl phosphate 121.17
    4-methyl-2-pentanol 127.05
    propionitrile 242.41
    vinylene carbonate 459.88
    1,1,2-trichlorotrifluoroethane 432.27
    DMS 274.25
    cumene 88.51
    2-octanol 124.45
    2-hexanone 178.82
    octyl acetate 185.56
    limonene 157.19
    1,2-dimethoxyethane 425.8
    ethyl orthosilicate 117.24
    tributyl phosphate 135.52
    diacetone alcohol 262.93
    N,N-dimethylaniline 160.96
    acrylonitrile 276.8
    aniline 236.89
    1,3-propanediol 281.89
    bromobenzene 263.41
    dibromomethane 462.06
    1,1,2,2-tetrachloroethane 518.23
    2-methyl-cyclohexyl acetate 206.48
    tetrabutyl urea 169.79
    diisobutyl methanol 106.59
    2-phenylethanol 265.83
    styrene 123.4
    dioctyl adipate 196.95
    dimethyl sulfate 206.82
    ethyl butyrate 201.49
    methyl lactate 179.75
    butyl lactate 174.82
    diethyl carbonate 164.15
    propanediol butyl ether 286.19
    triethyl orthoformate 162.99
    p-tert-butyltoluene 109.09
    methyl 4-tert-butylbenzoate 241.31
    morpholine 902.22
    tert-butylamine 253.39
    n-dodecanol 106.77
    dimethoxymethane 428.19
    ethylene carbonate 381.57
    cyrene 258.93
    2-ethoxyethyl acetate 255.57
    2-ethylhexyl acetate 196.93
    1,2,4-trichlorobenzene 295.74
    4-methylpyridine 431.51
    dibutyl ether 186.33
    2,6-dimethyl-4-heptanol 106.59
    DEF 302.61
    dimethyl isosorbide 501.87
    tetrachloroethylene 327.63
    eugenol 217.35
    triacetin 304.13
    span 80 312.52
    1,4-butanediol 106.84
    1,1-dichloroethane 358.39
    2-methyl-1-pentanol 168.06
    methyl formate 305.65
    2-methyl-1-butanol 221.05
    n-decane 36.23
    butyronitrile 301.59
    3,7-dimethyl-1-octanol 190.23
    1-chlorooctane 123.11
    1-chlorotetradecane 58.02
    n-nonane 35.85
    undecane 27.97
    tert-butylcyclohexane 49.13
    cyclooctane 46.21
    cyclopentanol 357.18
    tetrahydropyran 693.25
    tert-amyl methyl ether 209.28
    2,5,8-trioxanonane 410.81
    1-hexene 143.96
    2-isopropoxyethanol 158.82
    2,2,2-trifluoroethanol 192.67
    methyl butyrate 238.67

    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