(1R,2S,3S,4S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-ol

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  • Identifiers

    CAS number
    59432-92-7

    Molecular formula
    C9H16O

    SMILES
    C[C@H]1[C@H]2CC[C@H](C2)[C@]1(C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 64.35%
    Mint 56.25%
    Woody 51.22%
    Green 48.49%
    Earthy 48.28%
    Camphoreous 47.61%
    Fruity 47.21%
    Spicy 45.89%
    Cooling 42.29%
    Fresh 41.15%

     

    Flavor
    Fruity 57.83%
    Herbal 50.7%
    Minty 49.72%
    Fruit 41.04%
    Herb 40.53%
    Green 40.3%
    Sweet 38.89%
    Earthy 37.86%
    Tropical 28.48%
    Pine 27.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.99 (weak base)

    Molecular weight
    140.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    196°C

    Flash point

    • 59.29 ˚C est.

  • Synonyms

    • DTXSID001205617
    • rel-(1R,2S,3S,4S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-ol
    • 59432-92-7
    • (1R,2S,3S,4S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-ol
    • 59432-92-7

  • Applications

    (1R,2S,3S,4S)-2,3-Dimethylbicyclo[2.2.1]heptan-2-ol (CAS 59432-92-7) may be used as a fragrance ingredient and aroma chemical in perfumery and personal care; as an aroma additive in household products and cleaners; as a chiral intermediate or building block for pharmaceutical synthesis; as a precursor for specialty chemicals in industrial manufacturing; and as a potential building block for certain polymer or coating formulations, subject to formulation constraints and regulatory guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2310.4
    methanol 3202.91
    isopropanol 1877.57
    water 49.1
    ethyl acetate 1512.53
    n-propanol 1662.41
    acetone 1325.23
    n-butanol 1583.81
    acetonitrile 1597.43
    DMF 1013.64
    toluene 498.01
    isobutanol 1108.43
    1,4-dioxane 2380.07
    methyl acetate 1142.7
    THF 2642.29
    2-butanone 884.94
    n-pentanol 721.1
    sec-butanol 965.5
    n-hexane 148.33
    ethylene glycol 512.72
    NMP 393.0
    cyclohexane 200.01
    DMSO 712.27
    n-butyl acetate 898.41
    n-octanol 401.9
    chloroform 2573.83
    n-propyl acetate 574.55
    acetic acid 1162.76
    dichloromethane 1840.18
    cyclohexanone 767.83
    propylene glycol 596.92
    isopropyl acetate 1075.25
    DMAc 595.19
    2-ethoxyethanol 1104.08
    isopentanol 1262.24
    n-heptane 128.11
    ethyl formate 936.2
    1,2-dichloroethane 948.69
    n-hexanol 1086.24
    2-methoxyethanol 2115.91
    isobutyl acetate 426.12
    tetrachloromethane 656.67
    n-pentyl acetate 432.27
    transcutol 2883.63
    n-heptanol 498.86
    ethylbenzene 217.11
    MIBK 721.8
    2-propoxyethanol 1752.43
    tert-butanol 1778.8
    MTBE 1564.04
    2-butoxyethanol 891.98
    propionic acid 900.91
    o-xylene 274.0
    formic acid 792.24
    diethyl ether 1690.15
    m-xylene 395.13
    p-xylene 291.57
    chlorobenzene 571.33
    dimethyl carbonate 413.09
    n-octane 56.0
    formamide 1164.04
    cyclopentanone 980.98
    2-pentanone 873.28
    anisole 523.72
    cyclopentyl methyl ether 867.06
    gamma-butyrolactone 1235.1
    1-methoxy-2-propanol 1600.09
    pyridine 1025.42
    3-pentanone 540.32
    furfural 911.54
    n-dodecane 40.84
    diethylene glycol 1263.93
    diisopropyl ether 577.84
    tert-amyl alcohol 921.49
    acetylacetone 943.66
    n-hexadecane 45.33
    acetophenone 332.76
    methyl propionate 823.59
    isopentyl acetate 769.45
    trichloroethylene 1478.81
    n-nonanol 362.15
    cyclohexanol 659.16
    benzyl alcohol 389.92
    2-ethylhexanol 486.54
    isooctanol 394.68
    dipropyl ether 664.22
    1,2-dichlorobenzene 471.78
    ethyl lactate 266.77
    propylene carbonate 724.59
    n-methylformamide 1121.1
    2-pentanol 947.2
    n-pentane 227.7
    1-propoxy-2-propanol 1098.96
    1-methoxy-2-propyl acetate 896.54
    2-(2-methoxypropoxy) propanol 538.16
    mesitylene 271.13
    ε-caprolactone 748.32
    p-cymene 185.37
    epichlorohydrin 1322.6
    1,1,1-trichloroethane 1125.48
    2-aminoethanol 1050.1
    morpholine-4-carbaldehyde 917.84
    sulfolane 619.82
    2,2,4-trimethylpentane 100.71
    2-methyltetrahydrofuran 1281.13
    n-hexyl acetate 561.69
    isooctane 140.82
    2-(2-butoxyethoxy)ethanol 886.24
    sec-butyl acetate 434.34
    tert-butyl acetate 976.28
    decalin 84.82
    glycerin 736.83
    diglyme 1528.49
    acrylic acid 637.66
    isopropyl myristate 233.28
    n-butyric acid 1440.01
    acetyl acetate 869.43
    di(2-ethylhexyl) phthalate 185.34
    ethyl propionate 500.74
    nitromethane 1547.33
    1,2-diethoxyethane 1276.31
    benzonitrile 554.16
    trioctyl phosphate 149.57
    1-bromopropane 745.41
    gamma-valerolactone 1316.04
    n-decanol 261.73
    triethyl phosphate 203.23
    4-methyl-2-pentanol 711.77
    propionitrile 1327.88
    vinylene carbonate 752.68
    1,1,2-trichlorotrifluoroethane 733.19
    DMS 409.6
    cumene 187.81
    2-octanol 291.04
    2-hexanone 471.18
    octyl acetate 265.73
    limonene 231.85
    1,2-dimethoxyethane 1427.74
    ethyl orthosilicate 228.42
    tributyl phosphate 189.52
    diacetone alcohol 779.57
    N,N-dimethylaniline 313.58
    acrylonitrile 1188.3
    aniline 742.05
    1,3-propanediol 1529.91
    bromobenzene 542.57
    dibromomethane 1231.24
    1,1,2,2-tetrachloroethane 1099.32
    2-methyl-cyclohexyl acetate 322.76
    tetrabutyl urea 175.45
    diisobutyl methanol 348.7
    2-phenylethanol 583.38
    styrene 251.1
    dioctyl adipate 242.13
    dimethyl sulfate 337.25
    ethyl butyrate 578.34
    methyl lactate 422.79
    butyl lactate 326.26
    diethyl carbonate 383.52
    propanediol butyl ether 568.37
    triethyl orthoformate 393.55
    p-tert-butyltoluene 202.24
    methyl 4-tert-butylbenzoate 375.6
    morpholine 2080.88
    tert-butylamine 1384.75
    n-dodecanol 197.06
    dimethoxymethane 1342.34
    ethylene carbonate 762.68
    cyrene 283.08
    2-ethoxyethyl acetate 670.15
    2-ethylhexyl acetate 506.0
    1,2,4-trichlorobenzene 448.79
    4-methylpyridine 892.71
    dibutyl ether 457.1
    2,6-dimethyl-4-heptanol 348.7
    DEF 640.01
    dimethyl isosorbide 697.63
    tetrachloroethylene 881.71
    eugenol 385.66
    triacetin 430.69
    span 80 430.13
    1,4-butanediol 476.63
    1,1-dichloroethane 1304.6
    2-methyl-1-pentanol 561.97
    methyl formate 777.78
    2-methyl-1-butanol 905.11
    n-decane 72.0
    butyronitrile 1363.07
    3,7-dimethyl-1-octanol 412.29
    1-chlorooctane 203.33
    1-chlorotetradecane 87.71
    n-nonane 68.69
    undecane 52.42
    tert-butylcyclohexane 99.17
    cyclooctane 85.99
    cyclopentanol 723.5
    tetrahydropyran 1624.57
    tert-amyl methyl ether 673.78
    2,5,8-trioxanonane 870.85
    1-hexene 364.22
    2-isopropoxyethanol 773.1
    2,2,2-trifluoroethanol 543.61
    methyl butyrate 557.36

    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