rel-(1R,6S)-2,2,6-Trimethyl-alpha-propylcyclohexanepropanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    253454-23-8

    Molecular formula
    C15H30O

    SMILES
    CCCC(CC[C@H]1[C@@H](CCCC1(C)C)C)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.62%
    Amber 56.46%
    Sandalwood 51.01%
    Dry 43.92%
    Floral 42.82%
    Musk 41.63%
    Cedar 40.54%
    Vetiver 35.34%
    Balsamic 34.92%
    Powdery 34.39%

     

    Flavor
    Woody 60.06%
    Sweet 49.58%
    Floral 45.88%
    Mild 35.41%
    Herbal 35.29%
    Earthy 30.32%
    Fresh 29.76%
    Balsam 29.64%
    Green 29.62%
    Citrus 28.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.91 (weak base)

    Molecular weight
    226.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 125.3 ˚C est.

  • Synonyms

    • 253454-23-8
    • RefChem:379095
    • rel-(1R,6S)-2,2,6-Trimethyl-alpha-propylcyclohexanepropanol
    • trans-1-(2,2,6-trimethylcyclohexyl)hexan-3-ol
    • SCHEMBL1396470
    • DTXSID501036184
    • trans-1-(2,2,6-trimethylcyclohexyl)-hexan-3-ol
    • rel-1-[(1S,6R)-2,2,6-Trimethylcyclohexyl]-3-hexanol

  • Applications

    Rel-(1R,6S)-2,2,6-Trimethyl-alpha-propylcyclohexanepropanol is typically encountered as a fragrance-related ingredient and a chiral aroma compound, where it may serve as a scent component or fixative in perfumery and cosmetics/personal care formulations; it can also be evaluated for use in household products to contribute fragrance notes or assist in formulation aesthetics. In industrial settings, it has potential as a chiral building block or intermediate in the synthesis of specialty chemicals and may be used in coatings/inks or polymer-related workflows where controlled fragrance or chemistry is desired. Depending on the formulation, it may function as a solvent or co-solvent in niche formulations, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17659.17
    methanol 10650.15
    isopropanol 16010.18
    water 0.4
    ethyl acetate 15055.17
    n-propanol 14742.89
    acetone 17223.77
    n-butanol 13271.8
    acetonitrile 8912.56
    DMF 9060.11
    toluene 3435.2
    isobutanol 10204.9
    1,4-dioxane 17800.81
    methyl acetate 8247.89
    THF 30007.91
    2-butanone 11056.64
    n-pentanol 5029.61
    sec-butanol 7865.59
    n-hexane 1824.38
    ethylene glycol 424.41
    NMP 2971.21
    cyclohexane 3614.66
    DMSO 5184.9
    n-butyl acetate 12239.36
    n-octanol 2191.86
    chloroform 8591.02
    n-propyl acetate 5970.91
    acetic acid 3421.19
    dichloromethane 9255.87
    cyclohexanone 10343.47
    propylene glycol 1106.09
    isopropyl acetate 10556.82
    DMAc 3529.01
    2-ethoxyethanol 5005.0
    isopentanol 10135.35
    n-heptane 1836.99
    ethyl formate 5177.89
    1,2-dichloroethane 7845.01
    n-hexanol 10611.16
    2-methoxyethanol 11616.38
    isobutyl acetate 3768.24
    tetrachloromethane 1885.55
    n-pentyl acetate 4071.83
    transcutol 17037.58
    n-heptanol 2828.47
    ethylbenzene 1066.8
    MIBK 6422.02
    2-propoxyethanol 11541.18
    tert-butanol 16998.26
    MTBE 23230.79
    2-butoxyethanol 4171.74
    propionic acid 3866.5
    o-xylene 1256.6
    formic acid 596.98
    diethyl ether 24643.24
    m-xylene 2169.78
    p-xylene 1378.6
    chlorobenzene 2905.55
    dimethyl carbonate 1451.9
    n-octane 437.64
    formamide 1342.6
    cyclopentanone 10461.17
    2-pentanone 11913.42
    anisole 2244.87
    cyclopentyl methyl ether 10649.92
    gamma-butyrolactone 8866.28
    1-methoxy-2-propanol 9434.65
    pyridine 7004.8
    3-pentanone 5963.64
    furfural 3821.72
    n-dodecane 197.28
    diethylene glycol 3099.83
    diisopropyl ether 7269.81
    tert-amyl alcohol 7573.33
    acetylacetone 7536.86
    n-hexadecane 237.25
    acetophenone 1298.05
    methyl propionate 6954.43
    isopentyl acetate 9601.28
    trichloroethylene 8357.51
    n-nonanol 1771.77
    cyclohexanol 6489.65
    benzyl alcohol 1303.25
    2-ethylhexanol 4771.84
    isooctanol 2068.83
    dipropyl ether 11189.58
    1,2-dichlorobenzene 1824.06
    ethyl lactate 1010.2
    propylene carbonate 3926.69
    n-methylformamide 5034.71
    2-pentanol 7828.22
    n-pentane 2371.6
    1-propoxy-2-propanol 9422.87
    1-methoxy-2-propyl acetate 7878.46
    2-(2-methoxypropoxy) propanol 1891.03
    mesitylene 1365.73
    ε-caprolactone 7372.83
    p-cymene 1028.21
    epichlorohydrin 10602.86
    1,1,1-trichloroethane 6186.01
    2-aminoethanol 2295.52
    morpholine-4-carbaldehyde 4940.04
    sulfolane 4734.93
    2,2,4-trimethylpentane 682.0
    2-methyltetrahydrofuran 18317.73
    n-hexyl acetate 4845.8
    isooctane 872.42
    2-(2-butoxyethoxy)ethanol 3911.87
    sec-butyl acetate 3966.9
    tert-butyl acetate 9156.87
    decalin 642.19
    glycerin 994.97
    diglyme 7216.07
    acrylic acid 1613.19
    isopropyl myristate 1460.43
    n-butyric acid 9756.87
    acetyl acetate 4372.55
    di(2-ethylhexyl) phthalate 718.78
    ethyl propionate 4373.8
    nitromethane 6069.54
    1,2-diethoxyethane 11742.75
    benzonitrile 2261.67
    trioctyl phosphate 731.93
    1-bromopropane 7508.58
    gamma-valerolactone 11291.51
    n-decanol 1217.42
    triethyl phosphate 1041.9
    4-methyl-2-pentanol 4121.06
    propionitrile 8405.04
    vinylene carbonate 2936.3
    1,1,2-trichlorotrifluoroethane 2897.51
    DMS 1869.72
    cumene 698.97
    2-octanol 1551.04
    2-hexanone 5074.41
    octyl acetate 1719.01
    limonene 2299.51
    1,2-dimethoxyethane 10038.77
    ethyl orthosilicate 1270.69
    tributyl phosphate 995.21
    diacetone alcohol 5512.36
    N,N-dimethylaniline 1150.43
    acrylonitrile 5084.09
    aniline 3593.16
    1,3-propanediol 5424.21
    bromobenzene 3094.44
    dibromomethane 6783.06
    1,1,2,2-tetrachloroethane 5580.42
    2-methyl-cyclohexyl acetate 2375.42
    tetrabutyl urea 1065.23
    diisobutyl methanol 2409.62
    2-phenylethanol 2335.33
    styrene 1378.26
    dioctyl adipate 1382.39
    dimethyl sulfate 1208.49
    ethyl butyrate 6605.46
    methyl lactate 1358.78
    butyl lactate 1905.42
    diethyl carbonate 2646.83
    propanediol butyl ether 2190.58
    triethyl orthoformate 3556.89
    p-tert-butyltoluene 1167.52
    methyl 4-tert-butylbenzoate 1342.25
    morpholine 21726.75
    tert-butylamine 12920.75
    n-dodecanol 876.84
    dimethoxymethane 11683.73
    ethylene carbonate 3431.72
    cyrene 935.08
    2-ethoxyethyl acetate 4595.45
    2-ethylhexyl acetate 6717.1
    1,2,4-trichlorobenzene 1838.7
    4-methylpyridine 7628.03
    dibutyl ether 5743.62
    2,6-dimethyl-4-heptanol 2409.62
    DEF 7537.42
    dimethyl isosorbide 3177.03
    tetrachloroethylene 3847.41
    eugenol 1052.05
    triacetin 1931.04
    span 80 1707.53
    1,4-butanediol 946.33
    1,1-dichloroethane 8748.89
    2-methyl-1-pentanol 3304.85
    methyl formate 2786.15
    2-methyl-1-butanol 6875.83
    n-decane 480.2
    butyronitrile 11903.09
    3,7-dimethyl-1-octanol 2323.65
    1-chlorooctane 1680.3
    1-chlorotetradecane 494.6
    n-nonane 536.04
    undecane 294.3
    tert-butylcyclohexane 684.82
    cyclooctane 923.59
    cyclopentanol 6178.73
    tetrahydropyran 26382.16
    tert-amyl methyl ether 8087.32
    2,5,8-trioxanonane 3089.17
    1-hexene 4933.77
    2-isopropoxyethanol 3579.46
    2,2,2-trifluoroethanol 658.4
    methyl butyrate 5662.89

    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