Cyclohexanepropanol, 2,2,3,6-tetramethyl-alpha-propyl-

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  • Identifiers

    CAS number
    95851-08-4

    Molecular formula
    C16H32O

    SMILES
    CCCC(CCC1C(CCC(C1(C)C)C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 86.77%
    Sandalwood 56.9%
    Amber 54.34%
    Dry 43.73%
    Floral 41.88%
    Balsamic 39.97%
    Sweet 39.92%
    Cedar 39.61%
    Musk 38.5%
    Powdery 36.47%

     

    Flavor
    Woody 63.57%
    Sweet 50.54%
    Floral 41.11%
    Herbal 38.23%
    Green 35.69%
    Mild 32.93%
    Balsam 32.7%
    Citrus 31.91%
    Fresh 29.43%
    Earthy 28.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    9.12 (weak base)

    Molecular weight
    240.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 126.95 ˚C est.

  • Synonyms

    • 95851-08-4
    • Cyclohexanepropanol, 2,2,3,6-tetramethyl-alpha-propyl-
    • Cyclohexanepropanol, 2,2,3,6-tetramethyl-.alpha.-propyl-
    • 1-(2,2,3,6-tetramethyl-1-cyclohexyl)-3-hexanol
    • SCHEMBL1427729
    • DTXSID3052642
    • CYCLOHEXANEPROPANOL,2,2,3,6-TETRAMETHYL-A-PROPYL-
    • NS00019694
    • 1-(2,2,3,6-TETRAMETHYLCYCLOHEXYL)HEXAN-3-OL
    • 638-987-0

  • Applications

    Chemical name: Cyclohexanepropanol, 2,2,3,6-tetramethyl-alpha-propyl-, CAS 95851-08-4 is used primarily as a fragrance ingredient and fixative in perfumery, contributing to scent longevity; it may also act as a solvent or fragrance carrier in cosmetics and personal care products; as a fragrance additive in household products such as cleaners and laundry formulations; in industrial manufacturing, it is commonly evaluated as an intermediate for the synthesis of aroma chemicals and related specialty compounds; its role is formulation-oriented and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9319.77
    methanol 4749.17
    isopropanol 8997.69
    water 0.48
    ethyl acetate 9575.18
    n-propanol 8925.35
    acetone 10589.41
    n-butanol 7718.57
    acetonitrile 5192.88
    DMF 6312.71
    toluene 3022.93
    isobutanol 6065.75
    1,4-dioxane 12227.45
    methyl acetate 5651.51
    THF 21635.05
    2-butanone 7623.03
    n-pentanol 2714.69
    sec-butanol 4921.22
    n-hexane 1354.52
    ethylene glycol 237.0
    NMP 2392.27
    cyclohexane 2967.62
    DMSO 3350.54
    n-butyl acetate 7931.43
    n-octanol 1433.05
    chloroform 6549.0
    n-propyl acetate 3870.4
    acetic acid 1874.91
    dichloromethane 6557.73
    cyclohexanone 7824.45
    propylene glycol 569.24
    isopropyl acetate 6925.75
    DMAc 2735.5
    2-ethoxyethanol 3066.77
    isopentanol 5858.6
    n-heptane 1179.26
    ethyl formate 3095.06
    1,2-dichloroethane 5843.52
    n-hexanol 5872.45
    2-methoxyethanol 6473.59
    isobutyl acetate 2501.42
    tetrachloromethane 1864.37
    n-pentyl acetate 2826.41
    transcutol 11240.62
    n-heptanol 1804.76
    ethylbenzene 979.36
    MIBK 4336.03
    2-propoxyethanol 7105.77
    tert-butanol 9934.28
    MTBE 16677.01
    2-butoxyethanol 2711.23
    propionic acid 2425.34
    o-xylene 1248.0
    formic acid 329.14
    diethyl ether 17502.74
    m-xylene 1936.09
    p-xylene 1254.88
    chlorobenzene 2514.38
    dimethyl carbonate 1160.93
    n-octane 329.77
    formamide 842.04
    cyclopentanone 7952.37
    2-pentanone 7525.47
    anisole 1932.26
    cyclopentyl methyl ether 8225.71
    gamma-butyrolactone 6786.56
    1-methoxy-2-propanol 5366.5
    pyridine 5095.04
    3-pentanone 4350.12
    furfural 2925.27
    n-dodecane 136.17
    diethylene glycol 1902.91
    diisopropyl ether 5139.41
    tert-amyl alcohol 5128.09
    acetylacetone 5142.61
    n-hexadecane 165.23
    acetophenone 1116.53
    methyl propionate 4937.61
    isopentyl acetate 6269.74
    trichloroethylene 6492.66
    n-nonanol 1181.67
    cyclohexanol 4482.5
    benzyl alcohol 970.62
    2-ethylhexanol 2887.28
    isooctanol 1418.17
    dipropyl ether 7201.46
    1,2-dichlorobenzene 1722.73
    ethyl lactate 737.86
    propylene carbonate 2971.59
    n-methylformamide 3180.69
    2-pentanol 4810.38
    n-pentane 1785.67
    1-propoxy-2-propanol 5820.48
    1-methoxy-2-propyl acetate 5325.86
    2-(2-methoxypropoxy) propanol 1469.22
    mesitylene 1317.19
    ε-caprolactone 5286.84
    p-cymene 871.59
    epichlorohydrin 7410.45
    1,1,1-trichloroethane 5286.45
    2-aminoethanol 1231.0
    morpholine-4-carbaldehyde 3667.62
    sulfolane 3980.54
    2,2,4-trimethylpentane 584.38
    2-methyltetrahydrofuran 12974.41
    n-hexyl acetate 3304.71
    isooctane 667.16
    2-(2-butoxyethoxy)ethanol 2810.8
    sec-butyl acetate 2838.01
    tert-butyl acetate 6347.71
    decalin 545.23
    glycerin 559.41
    diglyme 5255.92
    acrylic acid 1081.36
    isopropyl myristate 1046.1
    n-butyric acid 5555.14
    acetyl acetate 3216.14
    di(2-ethylhexyl) phthalate 572.01
    ethyl propionate 3134.0
    nitromethane 3731.49
    1,2-diethoxyethane 7673.96
    benzonitrile 1725.73
    trioctyl phosphate 545.85
    1-bromopropane 5318.45
    gamma-valerolactone 8020.6
    n-decanol 826.77
    triethyl phosphate 876.56
    4-methyl-2-pentanol 2650.03
    propionitrile 5443.3
    vinylene carbonate 2307.46
    1,1,2-trichlorotrifluoroethane 2099.56
    DMS 1611.84
    cumene 655.89
    2-octanol 1077.22
    2-hexanone 3287.72
    octyl acetate 1224.72
    limonene 1765.4
    1,2-dimethoxyethane 6354.24
    ethyl orthosilicate 1034.13
    tributyl phosphate 733.38
    diacetone alcohol 3740.72
    N,N-dimethylaniline 1028.0
    acrylonitrile 3490.13
    aniline 2838.01
    1,3-propanediol 2922.87
    bromobenzene 2842.11
    dibromomethane 5111.72
    1,1,2,2-tetrachloroethane 4574.05
    2-methyl-cyclohexyl acetate 1783.53
    tetrabutyl urea 799.07
    diisobutyl methanol 1666.79
    2-phenylethanol 1705.01
    styrene 1231.21
    dioctyl adipate 1073.43
    dimethyl sulfate 1141.46
    ethyl butyrate 4361.42
    methyl lactate 979.21
    butyl lactate 1423.75
    diethyl carbonate 1983.05
    propanediol butyl ether 1548.28
    triethyl orthoformate 2620.32
    p-tert-butyltoluene 994.38
    methyl 4-tert-butylbenzoate 1220.5
    morpholine 14482.59
    tert-butylamine 8490.14
    n-dodecanol 594.73
    dimethoxymethane 7454.48
    ethylene carbonate 2627.98
    cyrene 781.45
    2-ethoxyethyl acetate 3318.15
    2-ethylhexyl acetate 4488.76
    1,2,4-trichlorobenzene 1761.43
    4-methylpyridine 5375.18
    dibutyl ether 3809.5
    2,6-dimethyl-4-heptanol 1666.79
    DEF 5245.02
    dimethyl isosorbide 2559.2
    tetrachloroethylene 3188.28
    eugenol 926.71
    triacetin 1539.62
    span 80 1273.83
    1,4-butanediol 534.26
    1,1-dichloroethane 6497.27
    2-methyl-1-pentanol 2045.34
    methyl formate 1757.26
    2-methyl-1-butanol 4331.13
    n-decane 340.81
    butyronitrile 7177.68
    3,7-dimethyl-1-octanol 1567.75
    1-chlorooctane 1219.33
    1-chlorotetradecane 359.38
    n-nonane 381.88
    undecane 203.0
    tert-butylcyclohexane 552.3
    cyclooctane 817.68
    cyclopentanol 4324.1
    tetrahydropyran 19483.64
    tert-amyl methyl ether 5934.16
    2,5,8-trioxanonane 2438.22
    1-hexene 3274.68
    2-isopropoxyethanol 2108.83
    2,2,2-trifluoroethanol 502.74
    methyl butyrate 3790.5

    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