4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    36151-02-7

    Molecular formula
    C13H22O2

    SMILES
    CC1=CC(=O)CC(C1CCC(C)O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.08%
    Sweet 47.53%
    Floral 46.89%
    Dry 39.95%
    Fruity 34.9%
    Tobacco 34.87%
    Amber 34.67%
    Spicy 34.28%
    Powdery 32.72%
    Berry 30.93%

     

    Flavor
    Woody 50.83%
    Floral 43.87%
    Minty 41.7%
    Fruity 39.95%
    Sweet 38.52%
    Herbal 37.86%
    Tropical 37.07%
    Green 34.97%
    Spicy 33.6%
    Fresh 29.65%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.04 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 135.84 ˚C est.

  • Synonyms

    • 4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
    • DTXSID90865807
    • RefChem:1069896
    • DTXCID50814174
    • 252-892-8
    • Blumenol C
    • 36151-02-7
    • 3-Oxo-7,8-dihydro-.alpha.-ionol
    • 2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-
    • EINECS 252-892-8
    • 60047-19-0
    • SCHEMBL28367811
    • 2-Cyclohexeb-1-one, 4-(3-hydroxybutyl)-3,5,5-trimethyl-
    • (9R)-9-Hydroxy-4-megastigmen-3-one
    • NS00058592
    • 6-(3-hydroxybutyl)-1,1,5-trimethyl-4-cyclohexen-3-one
    • 4-(3-Hydroxybutyl)-3,5,5-trimethyl-2-cyclohexen-1-one #
    • 2-Cyclohexen-1-one, 4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-, (4R)-
    • 36151-02-7

  • Applications

    4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one (CAS 36151-02-7) is primarily used as a fragrance ingredient in perfumery and personal care, acting as an odorant and a fixative to help stabilize and extend scent. It is also considered an intermediate for the synthesis of other aroma compounds. Additionally, it may be used in consumer household products (fragranced cleaners and air fresheners), in coatings and inks as a fragrance additive, and in broader industrial manufacturing as a fragrance intermediate or formulation aid, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 637.36
    methanol 1054.11
    isopropanol 412.38
    water 3.56
    ethyl acetate 285.84
    n-propanol 403.01
    acetone 377.68
    n-butanol 320.97
    acetonitrile 361.22
    DMF 557.93
    toluene 128.88
    isobutanol 265.47
    1,4-dioxane 855.95
    methyl acetate 248.77
    THF 1249.74
    2-butanone 220.24
    n-pentanol 169.45
    sec-butanol 214.73
    n-hexane 13.59
    ethylene glycol 117.16
    NMP 426.42
    cyclohexane 32.37
    DMSO 328.39
    n-butyl acetate 242.58
    n-octanol 143.57
    chloroform 474.55
    n-propyl acetate 140.4
    acetic acid 387.3
    dichloromethane 403.22
    cyclohexanone 419.73
    propylene glycol 212.19
    isopropyl acetate 173.43
    DMAc 274.25
    2-ethoxyethanol 225.81
    isopentanol 238.31
    n-heptane 19.14
    ethyl formate 247.68
    1,2-dichloroethane 203.62
    n-hexanol 356.76
    2-methoxyethanol 631.78
    isobutyl acetate 112.32
    tetrachloromethane 58.26
    n-pentyl acetate 135.12
    transcutol 885.53
    n-heptanol 139.6
    ethylbenzene 59.96
    MIBK 152.99
    2-propoxyethanol 541.67
    tert-butanol 451.27
    MTBE 199.87
    2-butoxyethanol 227.27
    propionic acid 244.86
    o-xylene 78.51
    formic acid 203.9
    diethyl ether 217.19
    m-xylene 110.82
    p-xylene 82.51
    chlorobenzene 161.31
    dimethyl carbonate 103.2
    n-octane 7.88
    formamide 208.71
    cyclopentanone 521.38
    2-pentanone 228.61
    anisole 158.35
    cyclopentyl methyl ether 346.39
    gamma-butyrolactone 622.07
    1-methoxy-2-propanol 477.64
    pyridine 309.49
    3-pentanone 136.11
    furfural 448.74
    n-dodecane 8.25
    diethylene glycol 387.95
    diisopropyl ether 66.82
    tert-amyl alcohol 215.87
    acetylacetone 265.83
    n-hexadecane 9.46
    acetophenone 133.69
    methyl propionate 213.29
    isopentyl acetate 206.75
    trichloroethylene 394.71
    n-nonanol 117.4
    cyclohexanol 263.35
    benzyl alcohol 152.86
    2-ethylhexanol 145.39
    isooctanol 97.43
    dipropyl ether 151.72
    1,2-dichlorobenzene 134.96
    ethyl lactate 94.11
    propylene carbonate 351.25
    n-methylformamide 339.25
    2-pentanol 168.48
    n-pentane 15.97
    1-propoxy-2-propanol 350.95
    1-methoxy-2-propyl acetate 276.25
    2-(2-methoxypropoxy) propanol 205.83
    mesitylene 70.78
    ε-caprolactone 377.1
    p-cymene 62.05
    epichlorohydrin 540.94
    1,1,1-trichloroethane 194.45
    2-aminoethanol 273.84
    morpholine-4-carbaldehyde 514.93
    sulfolane 459.54
    2,2,4-trimethylpentane 10.99
    2-methyltetrahydrofuran 556.53
    n-hexyl acetate 221.23
    isooctane 12.34
    2-(2-butoxyethoxy)ethanol 317.72
    sec-butyl acetate 97.51
    tert-butyl acetate 197.44
    decalin 15.83
    glycerin 255.75
    diglyme 478.54
    acrylic acid 191.94
    isopropyl myristate 79.4
    n-butyric acid 357.86
    acetyl acetate 191.78
    di(2-ethylhexyl) phthalate 92.13
    ethyl propionate 122.19
    nitromethane 497.92
    1,2-diethoxyethane 253.81
    benzonitrile 211.53
    trioctyl phosphate 74.5
    1-bromopropane 122.35
    gamma-valerolactone 695.15
    n-decanol 87.47
    triethyl phosphate 72.79
    4-methyl-2-pentanol 110.32
    propionitrile 249.4
    vinylene carbonate 315.64
    1,1,2-trichlorotrifluoroethane 315.28
    DMS 155.55
    cumene 48.81
    2-octanol 93.39
    2-hexanone 134.97
    octyl acetate 108.85
    limonene 90.06
    1,2-dimethoxyethane 390.12
    ethyl orthosilicate 73.24
    tributyl phosphate 82.69
    diacetone alcohol 250.39
    N,N-dimethylaniline 97.13
    acrylonitrile 266.01
    aniline 196.75
    1,3-propanediol 375.13
    bromobenzene 138.95
    dibromomethane 230.42
    1,1,2,2-tetrachloroethane 291.1
    2-methyl-cyclohexyl acetate 136.18
    tetrabutyl urea 101.64
    diisobutyl methanol 84.91
    2-phenylethanol 206.5
    styrene 67.17
    dioctyl adipate 114.08
    dimethyl sulfate 123.92
    ethyl butyrate 142.87
    methyl lactate 144.49
    butyl lactate 141.86
    diethyl carbonate 96.75
    propanediol butyl ether 259.84
    triethyl orthoformate 109.12
    p-tert-butyltoluene 66.87
    methyl 4-tert-butylbenzoate 154.03
    morpholine 868.17
    tert-butylamine 249.73
    n-dodecanol 65.95
    dimethoxymethane 416.13
    ethylene carbonate 269.93
    cyrene 182.08
    2-ethoxyethyl acetate 193.87
    2-ethylhexyl acetate 155.12
    1,2,4-trichlorobenzene 166.16
    4-methylpyridine 334.14
    dibutyl ether 114.53
    2,6-dimethyl-4-heptanol 84.91
    DEF 202.88
    dimethyl isosorbide 363.98
    tetrachloroethylene 174.86
    eugenol 152.54
    triacetin 171.32
    span 80 207.74
    1,4-butanediol 110.8
    1,1-dichloroethane 224.59
    2-methyl-1-pentanol 128.92
    methyl formate 288.69
    2-methyl-1-butanol 186.22
    n-decane 13.96
    butyronitrile 303.66
    3,7-dimethyl-1-octanol 122.93
    1-chlorooctane 61.91
    1-chlorotetradecane 24.69
    n-nonane 12.86
    undecane 10.48
    tert-butylcyclohexane 16.9
    cyclooctane 10.82
    cyclopentanol 315.29
    tetrahydropyran 612.69
    tert-amyl methyl ether 128.72
    2,5,8-trioxanonane 316.76
    1-hexene 59.81
    2-isopropoxyethanol 155.59
    2,2,2-trifluoroethanol 117.21
    methyl butyrate 154.77

    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