5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one

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  • Identifiers

    CAS number
    58253-27-3

    Molecular formula
    C17H32O4

    SMILES
    CCCCCC(CC(=O)CCC1CCC(C(C1)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 34.03%
    Lactonic 33.56%
    Sweet 31.88%
    Mint 30.62%
    Odorless 28.46%
    Fresh 28.22%
    Cooling 27.44%
    Herbal 25.94%
    Fruity 25.69%
    Jasmin 25.21%

     

    Flavor
    Herbal 31.41%
    Odorless 28.08%
    Oily 27.43%
    Fatty 26.72%
    Minty 26.02%
    Mild 25.92%
    Green 23.79%
    Sweet 23.32%
    Tropical 23.29%
    Floral 22.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.35 (neutral)

    Molecular weight
    300.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Flash point

    • 171.66 ˚C est.

  • Synonyms

    • 58253-27-3
    • 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one
    • 5-HYDROXY-1-(4-HYDROXY-3-METHOXY-CYCLOHEXYL)DECAN-3-ONE
    • CCRIS 2037
    • DB-325356
    • NS00124116
    • 58253-27-3

  • Applications

    5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one (CAS 58253-27-3) is primarily encountered as a fragrance ingredient and odorant, used to impart subtle floral-woody notes in perfumery and in cosmetic formulations. It is often evaluated for use in household products such as cleaners and air fresheners to contribute a lasting scent profile. The compound can serve as an intermediate or building block in fragrance chemistry, enabling synthesis of more complex aroma compounds. In industrial manufacturing, it may be handled as a specialty chemical for scent formulation or as a chiral reference material in fragrance R&D.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 526.67
    methanol 1150.75
    isopropanol 238.3
    water 0.74
    ethyl acetate 157.96
    n-propanol 250.35
    acetone 301.57
    n-butanol 184.75
    acetonitrile 75.9
    DMF 243.0
    toluene 29.92
    isobutanol 138.33
    1,4-dioxane 398.49
    methyl acetate 86.73
    THF 638.05
    2-butanone 121.73
    n-pentanol 104.44
    sec-butanol 106.17
    n-hexane 0.92
    ethylene glycol 64.79
    NMP 163.99
    cyclohexane 5.97
    DMSO 1063.59
    n-butyl acetate 84.8
    n-octanol 46.75
    chloroform 207.39
    n-propyl acetate 95.96
    acetic acid 381.12
    dichloromethane 186.7
    cyclohexanone 293.05
    propylene glycol 119.36
    isopropyl acetate 126.15
    DMAc 228.36
    2-ethoxyethanol 316.37
    isopentanol 157.4
    n-heptane 1.32
    ethyl formate 106.01
    1,2-dichloroethane 143.24
    n-hexanol 88.07
    2-methoxyethanol 626.4
    isobutyl acetate 71.03
    tetrachloromethane 22.93
    n-pentyl acetate 72.36
    transcutol 1030.27
    n-heptanol 49.81
    ethylbenzene 18.26
    MIBK 115.21
    2-propoxyethanol 252.09
    tert-butanol 242.53
    MTBE 81.29
    2-butoxyethanol 151.29
    propionic acid 141.23
    o-xylene 26.27
    formic acid 194.4
    diethyl ether 63.3
    m-xylene 29.64
    p-xylene 23.34
    chlorobenzene 52.95
    dimethyl carbonate 36.08
    n-octane 1.13
    formamide 217.47
    cyclopentanone 298.36
    2-pentanone 145.82
    anisole 60.28
    cyclopentyl methyl ether 126.38
    gamma-butyrolactone 317.89
    1-methoxy-2-propanol 391.85
    pyridine 134.23
    3-pentanone 60.31
    furfural 264.75
    n-dodecane 1.42
    diethylene glycol 257.11
    diisopropyl ether 17.91
    tert-amyl alcohol 116.02
    acetylacetone 232.31
    n-hexadecane 1.69
    acetophenone 79.77
    methyl propionate 82.15
    isopentyl acetate 89.46
    trichloroethylene 253.93
    n-nonanol 43.42
    cyclohexanol 151.3
    benzyl alcohol 87.64
    2-ethylhexanol 43.2
    isooctanol 44.43
    dipropyl ether 29.62
    1,2-dichlorobenzene 56.77
    ethyl lactate 66.41
    propylene carbonate 156.46
    n-methylformamide 155.57
    2-pentanol 72.87
    n-pentane 0.9
    1-propoxy-2-propanol 157.47
    1-methoxy-2-propyl acetate 137.23
    2-(2-methoxypropoxy) propanol 138.01
    mesitylene 20.32
    ε-caprolactone 242.37
    p-cymene 17.2
    epichlorohydrin 362.72
    1,1,1-trichloroethane 91.88
    2-aminoethanol 186.1
    morpholine-4-carbaldehyde 272.39
    sulfolane 398.72
    2,2,4-trimethylpentane 2.14
    2-methyltetrahydrofuran 213.12
    n-hexyl acetate 89.83
    isooctane 1.94
    2-(2-butoxyethoxy)ethanol 243.8
    sec-butyl acetate 65.27
    tert-butyl acetate 131.72
    decalin 3.99
    glycerin 202.82
    diglyme 448.64
    acrylic acid 108.71
    isopropyl myristate 31.93
    n-butyric acid 296.28
    acetyl acetate 106.73
    di(2-ethylhexyl) phthalate 46.18
    ethyl propionate 64.5
    nitromethane 419.28
    1,2-diethoxyethane 143.5
    benzonitrile 80.16
    trioctyl phosphate 32.48
    1-bromopropane 38.77
    gamma-valerolactone 480.13
    n-decanol 29.56
    triethyl phosphate 37.97
    4-methyl-2-pentanol 56.79
    propionitrile 53.26
    vinylene carbonate 122.75
    1,1,2-trichlorotrifluoroethane 292.7
    DMS 65.79
    cumene 16.07
    2-octanol 29.13
    2-hexanone 83.44
    octyl acetate 42.45
    limonene 24.2
    1,2-dimethoxyethane 358.7
    ethyl orthosilicate 36.48
    tributyl phosphate 39.18
    diacetone alcohol 197.08
    N,N-dimethylaniline 40.76
    acrylonitrile 69.44
    aniline 68.35
    1,3-propanediol 370.03
    bromobenzene 44.47
    dibromomethane 94.57
    1,1,2,2-tetrachloroethane 220.74
    2-methyl-cyclohexyl acetate 65.61
    tetrabutyl urea 49.31
    diisobutyl methanol 27.6
    2-phenylethanol 81.44
    styrene 21.22
    dioctyl adipate 62.13
    dimethyl sulfate 80.24
    ethyl butyrate 59.54
    methyl lactate 89.84
    butyl lactate 87.52
    diethyl carbonate 39.47
    propanediol butyl ether 170.88
    triethyl orthoformate 52.24
    p-tert-butyltoluene 16.87
    methyl 4-tert-butylbenzoate 93.39
    morpholine 490.06
    tert-butylamine 71.39
    n-dodecanol 20.61
    dimethoxymethane 206.0
    ethylene carbonate 123.07
    cyrene 128.51
    2-ethoxyethyl acetate 130.33
    2-ethylhexyl acetate 59.25
    1,2,4-trichlorobenzene 70.16
    4-methylpyridine 103.36
    dibutyl ether 37.59
    2,6-dimethyl-4-heptanol 27.6
    DEF 122.52
    dimethyl isosorbide 198.95
    tetrachloroethylene 152.75
    eugenol 100.24
    triacetin 127.75
    span 80 123.4
    1,4-butanediol 104.06
    1,1-dichloroethane 96.09
    2-methyl-1-pentanol 85.52
    methyl formate 111.05
    2-methyl-1-butanol 106.2
    n-decane 2.57
    butyronitrile 75.85
    3,7-dimethyl-1-octanol 47.73
    1-chlorooctane 17.07
    1-chlorotetradecane 6.18
    n-nonane 2.08
    undecane 1.81
    tert-butylcyclohexane 3.16
    cyclooctane 1.97
    cyclopentanol 165.23
    tetrahydropyran 255.7
    tert-amyl methyl ether 51.31
    2,5,8-trioxanonane 272.39
    1-hexene 6.86
    2-isopropoxyethanol 170.46
    2,2,2-trifluoroethanol 100.18
    methyl butyrate 103.87

    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