5-Hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-pentadecen-7-one

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  • Identifiers

    CAS number
    255833-56-8

    Molecular formula
    C27H48O2

    SMILES
    CCCC(C)CCCC(C)C(=O)CC(C(C)CC=CC1=C(CCCC1(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.53%
    Sandalwood 45.45%
    Floral 39.89%
    Waxy 39.08%
    Amber 36.38%
    Balsamic 32.94%
    Dry 32.51%
    Fruity 29.91%
    Vetiver 29.73%
    Oily 29.6%

     

    Flavor
    Woody 47.58%
    Herbal 47.23%
    Floral 31.83%
    Wood 26.56%
    Herb 25.72%
    Mild 24.57%
    Balsam 22.37%
    Citrus 21.6%
    Spice 21.23%
    Delicate 21.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    8.48 (weak base)

    Molecular weight
    404.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    461°C

    Flash point

    • 189.34 ˚C est.

  • Synonyms

    • DTXSID001129736
    • 5-Hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-pentadecen-7-one
    • 5-hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadec-1-en-7-one
    • 255833-56-8
    • 255833-56-8

  • Applications

    5-Hydroxy-4,8,12-trimethyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-pentadecen-7-one (CAS 255833-56-8) may be used in fragrance applications as an odorant and potential fixative, contributing aroma notes and helping to stabilize a fragrance composition in perfumery. It may be evaluated for use in cosmetics and personal care formulations as a fragrance ingredient. In household products and cleaning agents, it may serve as a scent component to impart or enhance fragrance profiles. In industrial manufacturing, it may be employed as an intermediate or building block in fragrance synthesis and formulation development. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.58
    methanol 105.86
    isopropanol 235.43
    water 0.02
    ethyl acetate 438.23
    n-propanol 282.47
    acetone 295.03
    n-butanol 298.94
    acetonitrile 32.12
    DMF 277.77
    toluene 282.85
    isobutanol 217.18
    1,4-dioxane 659.04
    methyl acetate 192.98
    THF 1289.92
    2-butanone 378.75
    n-pentanol 180.22
    sec-butanol 253.62
    n-hexane 34.12
    ethylene glycol 2.23
    NMP 304.66
    cyclohexane 75.07
    DMSO 142.09
    n-butyl acetate 369.55
    n-octanol 112.1
    chloroform 532.76
    n-propyl acetate 264.76
    acetic acid 92.14
    dichloromethane 438.39
    cyclohexanone 590.73
    propylene glycol 11.8
    isopropyl acetate 393.52
    DMAc 469.75
    2-ethoxyethanol 237.02
    isopentanol 282.76
    n-heptane 24.67
    ethyl formate 106.84
    1,2-dichloroethane 350.6
    n-hexanol 226.06
    2-methoxyethanol 274.03
    isobutyl acetate 228.3
    tetrachloromethane 98.89
    n-pentyl acetate 357.7
    transcutol 1604.5
    n-heptanol 146.94
    ethylbenzene 128.46
    MIBK 342.48
    2-propoxyethanol 424.49
    tert-butanol 281.69
    MTBE 664.14
    2-butoxyethanol 318.48
    propionic acid 80.56
    o-xylene 153.77
    formic acid 13.17
    diethyl ether 661.97
    m-xylene 192.02
    p-xylene 135.22
    chlorobenzene 219.07
    dimethyl carbonate 66.08
    n-octane 9.86
    formamide 22.03
    cyclopentanone 485.78
    2-pentanone 440.6
    anisole 246.49
    cyclopentyl methyl ether 593.16
    gamma-butyrolactone 381.38
    1-methoxy-2-propanol 307.91
    pyridine 350.0
    3-pentanone 301.95
    furfural 240.49
    n-dodecane 5.23
    diethylene glycol 99.36
    diisopropyl ether 169.25
    tert-amyl alcohol 287.96
    acetylacetone 359.24
    n-hexadecane 6.39
    acetophenone 199.25
    methyl propionate 239.4
    isopentyl acetate 417.95
    trichloroethylene 515.1
    n-nonanol 117.44
    cyclohexanol 255.86
    benzyl alcohol 133.35
    2-ethylhexanol 154.76
    isooctanol 141.8
    dipropyl ether 276.15
    1,2-dichlorobenzene 202.84
    ethyl lactate 74.5
    propylene carbonate 210.91
    n-methylformamide 72.31
    2-pentanol 209.33
    n-pentane 35.3
    1-propoxy-2-propanol 357.71
    1-methoxy-2-propyl acetate 467.39
    2-(2-methoxypropoxy) propanol 279.95
    mesitylene 109.51
    ε-caprolactone 521.16
    p-cymene 83.4
    epichlorohydrin 619.5
    1,1,1-trichloroethane 349.88
    2-aminoethanol 22.82
    morpholine-4-carbaldehyde 398.01
    sulfolane 353.09
    2,2,4-trimethylpentane 31.22
    2-methyltetrahydrofuran 859.81
    n-hexyl acetate 379.4
    isooctane 19.93
    2-(2-butoxyethoxy)ethanol 460.38
    sec-butyl acetate 266.72
    tert-butyl acetate 476.72
    decalin 32.71
    glycerin 19.87
    diglyme 869.67
    acrylic acid 40.64
    isopropyl myristate 119.51
    n-butyric acid 266.03
    acetyl acetate 177.55
    di(2-ethylhexyl) phthalate 106.11
    ethyl propionate 225.01
    nitromethane 137.92
    1,2-diethoxyethane 607.82
    benzonitrile 119.07
    trioctyl phosphate 74.73
    1-bromopropane 321.38
    gamma-valerolactone 693.47
    n-decanol 72.67
    triethyl phosphate 109.62
    4-methyl-2-pentanol 145.06
    propionitrile 80.42
    vinylene carbonate 148.26
    1,1,2-trichlorotrifluoroethane 223.83
    DMS 175.7
    cumene 84.86
    2-octanol 96.57
    2-hexanone 269.2
    octyl acetate 148.77
    limonene 138.99
    1,2-dimethoxyethane 536.3
    ethyl orthosilicate 135.58
    tributyl phosphate 89.64
    diacetone alcohol 348.85
    N,N-dimethylaniline 165.76
    acrylonitrile 54.33
    aniline 189.72
    1,3-propanediol 89.3
    bromobenzene 240.7
    dibromomethane 314.32
    1,1,2,2-tetrachloroethane 447.65
    2-methyl-cyclohexyl acetate 227.55
    tetrabutyl urea 122.52
    diisobutyl methanol 98.13
    2-phenylethanol 190.27
    styrene 134.39
    dioctyl adipate 174.82
    dimethyl sulfate 96.48
    ethyl butyrate 279.0
    methyl lactate 65.68
    butyl lactate 202.43
    diethyl carbonate 133.78
    propanediol butyl ether 175.99
    triethyl orthoformate 226.1
    p-tert-butyltoluene 82.76
    methyl 4-tert-butylbenzoate 262.56
    morpholine 826.04
    tert-butylamine 187.05
    n-dodecanol 46.29
    dimethoxymethane 421.46
    ethylene carbonate 153.84
    cyrene 182.48
    2-ethoxyethyl acetate 511.22
    2-ethylhexyl acetate 330.23
    1,2,4-trichlorobenzene 235.52
    4-methylpyridine 390.88
    dibutyl ether 219.8
    2,6-dimethyl-4-heptanol 98.13
    DEF 412.78
    dimethyl isosorbide 490.34
    tetrachloroethylene 282.09
    eugenol 220.41
    triacetin 309.31
    span 80 238.43
    1,4-butanediol 23.41
    1,1-dichloroethane 332.89
    2-methyl-1-pentanol 208.33
    methyl formate 44.32
    2-methyl-1-butanol 273.5
    n-decane 14.37
    butyronitrile 144.53
    3,7-dimethyl-1-octanol 137.16
    1-chlorooctane 90.29
    1-chlorotetradecane 22.49
    n-nonane 13.17
    undecane 8.02
    tert-butylcyclohexane 31.15
    cyclooctane 23.28
    cyclopentanol 184.58
    tetrahydropyran 1047.4
    tert-amyl methyl ether 421.65
    2,5,8-trioxanonane 454.69
    1-hexene 130.13
    2-isopropoxyethanol 228.25
    2,2,2-trifluoroethanol 26.44
    methyl butyrate 273.84

    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