(cis)-3-(2-Hydroxy-4-(1,1-dimethyloctyl)phenyl)cyclohexanol

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  • Identifiers

    CAS number
    70434-92-3

    Molecular formula
    C22H36O2

    SMILES
    CCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 42.97%
    Balsamic 35.48%
    Sweet 34.11%
    Animal 33.86%
    Floral 33.33%
    Phenolic 30.42%
    Woody 29.15%
    Leathery 28.91%
    Dry 24.33%
    Musk 23.23%

     

    Flavor
    Woody 40.99%
    Spice 36.91%
    Herbal 35.67%
    Spicy 26.2%
    Mild 25.99%
    Herb 25.82%
    Musty 24.18%
    Wood 23.74%
    Medicinal 21.89%
    Creosote 21.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    9.09 (weak base)

    Molecular weight
    332.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    500°C

    Flash point

    • 198.92 ˚C est.

  • Synonyms

    • Cannabicyclohexanol
    • 70434-92-3
    • UNII-ESJ086H0VF
    • CP 47497 C8 homolog
    • CP 47497 C8 homologue
    • cis-CP 47497C8
    • HSDB 8002
    • (cis)-3-(2-Hydroxy-4-(1,1-dimethyloctyl)phenyl)cyclohexanol
    • ESJ086H0VF
    • CP-47,497 C8 homologue
    • DEA No. 7298
    • 2-[(1r,3s)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
    • (cis)-3-[2-Hydroxy-4-(1,1-dimethyloctyl)phenyl]cyclohexanol
    • SCHEMBL11160648
    • (cis)-3-[2-Hydroxy-4-(1,1-dimethyloctyl)phenyl]cyclohexanol (1.0mg/ml in Acetonitrile)
    • DTXSID101016885
    • 5-(1,1-Dimethylheptyl)-2-((1R,3S)-3-hydroxycyclohexyl)-phenol
    • DB-244781
    • C22751
    • Q1033359
    • rel-5-(1,1-Dimethyloctyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol
    • rel-5-(1,1-Dimethyloctyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol; cis-5-(1,1-Dimethyloctyl)-2-(3-hydroxycyclohexyl)phenol; Cannabicyclohexanol;

  • Applications

    Applications for (cis)-3-(2-Hydroxy-4-(1,1-dimethyloctyl)phenyl)cyclohexanol (CAS 70434-92-3) include use as a fragrance ingredient and odorant in perfumery and cosmetics; as an aroma compound in flavor and fragrance formulations; as a fragrance additive in household products such as air fresheners and cleaners; as an intermediate or building block in the synthesis of more complex scent molecules in industrial manufacturing; and as a fragrance component in coatings and inks, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2782.13
    methanol 1239.68
    isopropanol 1983.06
    water 0.04
    ethyl acetate 1944.43
    n-propanol 2353.19
    acetone 2547.39
    n-butanol 1740.51
    acetonitrile 313.94
    DMF 1875.29
    toluene 297.18
    isobutanol 1229.87
    1,4-dioxane 1880.12
    methyl acetate 1011.42
    THF 3822.18
    2-butanone 1724.93
    n-pentanol 544.37
    sec-butanol 919.19
    n-hexane 25.21
    ethylene glycol 24.98
    NMP 458.62
    cyclohexane 56.93
    DMSO 862.73
    n-butyl acetate 968.55
    n-octanol 174.27
    chloroform 804.88
    n-propyl acetate 688.74
    acetic acid 280.71
    dichloromethane 824.25
    cyclohexanone 1242.9
    propylene glycol 98.02
    isopropyl acetate 1353.06
    DMAc 1123.9
    2-ethoxyethanol 865.0
    isopentanol 1118.58
    n-heptane 22.22
    ethyl formate 418.16
    1,2-dichloroethane 905.62
    n-hexanol 690.81
    2-methoxyethanol 1896.42
    isobutyl acetate 490.76
    tetrachloromethane 95.9
    n-pentyl acetate 488.43
    transcutol 2919.98
    n-heptanol 225.12
    ethylbenzene 110.95
    MIBK 961.64
    2-propoxyethanol 1385.9
    tert-butanol 1543.67
    MTBE 2566.64
    2-butoxyethanol 599.11
    propionic acid 342.54
    o-xylene 134.47
    formic acid 43.06
    diethyl ether 2490.57
    m-xylene 205.88
    p-xylene 135.54
    chlorobenzene 290.66
    dimethyl carbonate 258.93
    n-octane 12.59
    formamide 127.15
    cyclopentanone 1482.44
    2-pentanone 2014.96
    anisole 328.13
    cyclopentyl methyl ether 1162.32
    gamma-butyrolactone 1045.92
    1-methoxy-2-propanol 1666.06
    pyridine 724.76
    3-pentanone 886.11
    furfural 468.27
    n-dodecane 8.7
    diethylene glycol 418.5
    diisopropyl ether 465.01
    tert-amyl alcohol 763.5
    acetylacetone 1273.95
    n-hexadecane 10.4
    acetophenone 256.88
    methyl propionate 1034.12
    isopentyl acetate 921.97
    trichloroethylene 956.66
    n-nonanol 169.1
    cyclohexanol 510.89
    benzyl alcohol 214.29
    2-ethylhexanol 267.67
    isooctanol 198.39
    dipropyl ether 729.98
    1,2-dichlorobenzene 219.42
    ethyl lactate 176.15
    propylene carbonate 467.41
    n-methylformamide 626.36
    2-pentanol 840.36
    n-pentane 33.11
    1-propoxy-2-propanol 953.95
    1-methoxy-2-propyl acetate 1051.46
    2-(2-methoxypropoxy) propanol 381.97
    mesitylene 111.94
    ε-caprolactone 890.45
    p-cymene 80.19
    epichlorohydrin 1684.63
    1,1,1-trichloroethane 567.52
    2-aminoethanol 223.76
    morpholine-4-carbaldehyde 837.63
    sulfolane 747.66
    2,2,4-trimethylpentane 21.76
    2-methyltetrahydrofuran 1795.91
    n-hexyl acetate 553.2
    isooctane 25.35
    2-(2-butoxyethoxy)ethanol 729.7
    sec-butyl acetate 507.06
    tert-butyl acetate 1262.64
    decalin 23.19
    glycerin 117.18
    diglyme 1450.53
    acrylic acid 133.18
    isopropyl myristate 185.48
    n-butyric acid 1005.11
    acetyl acetate 474.96
    di(2-ethylhexyl) phthalate 123.12
    ethyl propionate 541.31
    nitromethane 639.51
    1,2-diethoxyethane 1422.94
    benzonitrile 227.11
    trioctyl phosphate 103.4
    1-bromopropane 663.37
    gamma-valerolactone 1767.0
    n-decanol 120.43
    triethyl phosphate 141.75
    4-methyl-2-pentanol 382.36
    propionitrile 511.86
    vinylene carbonate 332.94
    1,1,2-trichlorotrifluoroethane 465.09
    DMS 325.84
    cumene 76.22
    2-octanol 135.2
    2-hexanone 622.26
    octyl acetate 233.78
    limonene 146.41
    1,2-dimethoxyethane 1622.1
    ethyl orthosilicate 160.32
    tributyl phosphate 133.47
    diacetone alcohol 909.38
    N,N-dimethylaniline 174.51
    acrylonitrile 354.65
    aniline 336.7
    1,3-propanediol 732.84
    bromobenzene 287.19
    dibromomethane 532.9
    1,1,2,2-tetrachloroethane 838.28
    2-methyl-cyclohexyl acetate 310.34
    tetrabutyl urea 161.36
    diisobutyl methanol 170.33
    2-phenylethanol 290.33
    styrene 132.69
    dioctyl adipate 239.88
    dimethyl sulfate 272.39
    ethyl butyrate 546.95
    methyl lactate 248.48
    butyl lactate 299.64
    diethyl carbonate 240.83
    propanediol butyl ether 336.92
    triethyl orthoformate 326.48
    p-tert-butyltoluene 93.87
    methyl 4-tert-butylbenzoate 292.47
    morpholine 2902.0
    tert-butylamine 761.2
    n-dodecanol 84.89
    dimethoxymethane 2662.92
    ethylene carbonate 376.89
    cyrene 217.58
    2-ethoxyethyl acetate 753.29
    2-ethylhexyl acetate 553.36
    1,2,4-trichlorobenzene 259.88
    4-methylpyridine 718.34
    dibutyl ether 401.78
    2,6-dimethyl-4-heptanol 170.33
    DEF 1131.7
    dimethyl isosorbide 594.25
    tetrachloroethylene 459.52
    eugenol 235.59
    triacetin 391.58
    span 80 285.27
    1,4-butanediol 118.3
    1,1-dichloroethane 915.05
    2-methyl-1-pentanol 379.87
    methyl formate 295.02
    2-methyl-1-butanol 802.72
    n-decane 18.83
    butyronitrile 753.41
    3,7-dimethyl-1-octanol 217.65
    1-chlorooctane 121.97
    1-chlorotetradecane 34.71
    n-nonane 17.11
    undecane 12.1
    tert-butylcyclohexane 25.99
    cyclooctane 15.03
    cyclopentanol 523.24
    tetrahydropyran 2824.01
    tert-amyl methyl ether 883.3
    2,5,8-trioxanonane 722.97
    1-hexene 190.81
    2-isopropoxyethanol 615.09
    2,2,2-trifluoroethanol 63.55
    methyl butyrate 675.49

    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