Tetrahydroionol

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  • Identifiers

    CAS number
    4361-23-3

    Molecular formula
    C13H26O

    SMILES
    CC1CCCC(C1CCC(C)O)(C)C

  • Odor profile

    Woody 86.37%
    Floral 59.97%
    Amber 56.23%
    Sandalwood 51.0%
    Musk 45.29%
    Dry 44.84%
    Powdery 41.72%
    Violet 41.2%
    Cedar 38.17%
    Sweet 37.66%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    Molecular weight
    198.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point est.
    113.41 ˚C

  • Synonyms

    • Tetrahydroionol
    • 4361-23-3
    • Tetrahydroional
    • 4-(2,2,6-trimethylcyclohexyl)butan-2-ol
    • Cyclohexanepropanol, alpha,2,2,6-tetramethyl-
    • Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-
    • EINECS 224-445-7
    • 4-(2,2,6-Trimethylcyclohexyl)-2-butanol
    • DTXSID00863379
    • alpha,2,2,6-Tetramethylcyclohexanepropanol
    • SCHEMBL3504643
    • DTXCID80812007
    • AKOS006274301
    • NS00013227

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5098.01
    methanol 4020.33
    isopropanol 4525.8
    water 0.9
    ethyl acetate 3282.59
    n-propanol 4311.01
    acetone 3898.55
    n-butanol 3889.47
    acetonitrile 2748.14
    DMF 2217.09
    toluene 982.16
    isobutanol 2771.78
    1,4-dioxane 5981.74
    methyl acetate 2205.38
    THF 9877.43
    2-butanone 2795.99
    n-pentanol 1461.74
    sec-butanol 2300.2
    n-hexane 371.5
    ethylene glycol 254.61
    NMP 1150.5
    cyclohexane 804.78
    DMSO 1676.06
    n-butyl acetate 3171.97
    n-octanol 784.52
    chloroform 3122.81
    n-propyl acetate 1428.07
    acetic acid 1273.91
    dichloromethane 2851.1
    cyclohexanone 2931.29
    propylene glycol 610.34
    isopropyl acetate 2015.02
    DMAc 959.33
    2-ethoxyethanol 1451.8
    isopentanol 2778.46
    n-heptane 521.2
    ethyl formate 1787.04
    1,2-dichloroethane 2001.43
    n-hexanol 3458.94
    2-methoxyethanol 3767.41
    isobutyl acetate 932.14
    tetrachloromethane 644.98
    n-pentyl acetate 1005.23
    transcutol 4353.18
    n-heptanol 1022.19
    ethylbenzene 362.86
    MIBK 1434.81
    2-propoxyethanol 3617.32
    tert-butanol 4338.95
    MTBE 4007.2
    2-butoxyethanol 1378.09
    propionic acid 1362.74
    o-xylene 430.22
    formic acid 315.36
    diethyl ether 4436.54
    m-xylene 680.66
    p-xylene 465.02
    chlorobenzene 975.17
    dimethyl carbonate 387.21
    n-octane 125.23
    formamide 562.8
    cyclopentanone 3414.84
    2-pentanone 2638.13
    anisole 738.2
    cyclopentyl methyl ether 2815.7
    gamma-butyrolactone 3201.75
    1-methoxy-2-propanol 2882.27
    pyridine 2207.66
    3-pentanone 1415.37
    furfural 1541.51
    n-dodecane 67.68
    diethylene glycol 1284.15
    diisopropyl ether 1223.34
    tert-amyl alcohol 1973.86
    acetylacetone 1853.12
    n-hexadecane 78.99
    acetophenone 487.6
    methyl propionate 1668.33
    isopentyl acetate 2387.11
    trichloroethylene 2537.2
    n-nonanol 624.14
    cyclohexanol 2016.65
    benzyl alcohol 513.55
    2-ethylhexanol 1615.73
    isooctanol 712.16
    dipropyl ether 2690.51
    1,2-dichlorobenzene 667.53
    ethyl lactate 359.42
    propylene carbonate 1415.86
    n-methylformamide 1679.24
    2-pentanol 1985.97
    n-pentane 458.26
    1-propoxy-2-propanol 2967.32
    1-methoxy-2-propyl acetate 2194.3
    2-(2-methoxypropoxy) propanol 732.2
    mesitylene 440.97
    ε-caprolactone 2192.25
    p-cymene 389.91
    epichlorohydrin 3485.07
    1,1,1-trichloroethane 1703.14
    2-aminoethanol 1053.19
    morpholine-4-carbaldehyde 1809.94
    sulfolane 1800.22
    2,2,4-trimethylpentane 179.87
    2-methyltetrahydrofuran 5210.17
    n-hexyl acetate 1323.18
    isooctane 210.79
    2-(2-butoxyethoxy)ethanol 1353.53
    sec-butyl acetate 906.96
    tert-butyl acetate 1938.04
    decalin 187.97
    glycerin 552.43
    diglyme 2334.84
    acrylic acid 667.99
    isopropyl myristate 446.35
    n-butyric acid 2941.06
    acetyl acetate 1145.13
    di(2-ethylhexyl) phthalate 314.25
    ethyl propionate 1067.53
    nitromethane 2119.19
    1,2-diethoxyethane 2469.28
    benzonitrile 826.95
    trioctyl phosphate 298.22
    1-bromopropane 1771.38
    gamma-valerolactone 3870.85
    n-decanol 430.41
    triethyl phosphate 364.55
    4-methyl-2-pentanol 1079.13
    propionitrile 2575.42
    vinylene carbonate 1112.46
    1,1,2-trichlorotrifluoroethane 1166.2
    DMS 569.06
    cumene 252.33
    2-octanol 554.38
    2-hexanone 1321.52
    octyl acetate 552.26
    limonene 819.24
    1,2-dimethoxyethane 2818.55
    ethyl orthosilicate 422.33
    tributyl phosphate 361.54
    diacetone alcohol 1509.5
    N,N-dimethylaniline 394.37
    acrylonitrile 1780.81
    aniline 1178.34
    1,3-propanediol 2069.21
    bromobenzene 995.15
    dibromomethane 2202.12
    1,1,2,2-tetrachloroethane 1796.56
    2-methyl-cyclohexyl acetate 811.43
    tetrabutyl urea 397.61
    diisobutyl methanol 808.3
    2-phenylethanol 876.24
    styrene 439.46
    dioctyl adipate 494.83
    dimethyl sulfate 380.46
    ethyl butyrate 1763.62
    methyl lactate 486.41
    butyl lactate 627.96
    diethyl carbonate 777.0
    propanediol butyl ether 893.23
    triethyl orthoformate 998.77
    p-tert-butyltoluene 435.1
    methyl 4-tert-butylbenzoate 526.23
    morpholine 6481.49
    tert-butylamine 3306.01
    n-dodecanol 316.89
    dimethoxymethane 2639.59
    ethylene carbonate 1181.11
    cyrene 449.41
    2-ethoxyethyl acetate 1161.88
    2-ethylhexyl acetate 1666.92
    1,2,4-trichlorobenzene 711.76
    4-methylpyridine 2180.06
    dibutyl ether 1292.88
    2,6-dimethyl-4-heptanol 808.3
    DEF 1678.46
    dimethyl isosorbide 1272.23
    tetrachloroethylene 1211.19
    eugenol 439.34
    triacetin 649.23
    span 80 759.86
    1,4-butanediol 383.81
    1,1-dichloroethane 2228.47
    2-methyl-1-pentanol 995.69
    methyl formate 1062.75
    2-methyl-1-butanol 1951.75
    n-decane 143.78
    butyronitrile 3450.06
    3,7-dimethyl-1-octanol 758.58
    1-chlorooctane 499.24
    1-chlorotetradecane 160.99
    n-nonane 157.23
    undecane 93.36
    tert-butylcyclohexane 199.6
    cyclooctane 231.65
    cyclopentanol 2056.27
    tetrahydropyran 6902.49
    tert-amyl methyl ether 1675.72
    2,5,8-trioxanonane 1193.27
    1-hexene 1021.89
    2-isopropoxyethanol 985.59
    2,2,2-trifluoroethanol 283.0
    methyl butyrate 1431.57

    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