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

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  • Identifiers

    CAS number
    59300-40-2

    Molecular formula
    C9H14O

    SMILES
    C[C@@]1([C@@H]2CC[C@@H](C2)C1=C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.2%
    Herbal 54.62%
    Camphoreous 47.71%
    Mint 47.66%
    Earthy 40.27%
    Fresh 37.82%
    Spicy 37.79%
    Sweet 36.18%
    Cooling 36.03%
    Pine 35.3%

     

    Flavor
    Bitter 44.13%
    Minty 40.63%
    Fruity 37.44%
    Herbal 29.48%
    Mint 26.17%
    Herb 26.15%
    Fruit 25.32%
    Fresh 24.22%
    Beet 21.5%
    Sweet 21.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    10.02 (weak base)

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    197°C

    Flash point

    • 60.33 ˚C est.

  • Synonyms

    • DTXSID701211136
    • Bicyclo[2.2.1]heptan-2-ol, 2-methyl-3-methylene-, exo-
    • (1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol
    • 59300-40-2
    • 59300-40-2

  • Applications

    The compound, (1R,2S,4S)-2-Methyl-3-methylidenebicyclo[2.2.1]heptan-2-ol (CAS 59300-40-2), is primarily considered as a chiral building block and synthesis intermediate in fine chemical workflows; it is commonly evaluated for use in fragrance chemistry as an odor-active component or precursor to more complex aroma molecules; in cosmetics/personal care it may serve as a reactive intermediate or fragrance-related ingredient; it can function as a starting material or additive in specialty polymers and plastics formulations; and it is studied as a scaffold for pharmaceutical and agrochemical research, where its rigid norbornane framework supports the construction of more complex molecules. It may also find utility in coatings/inks and adhesives as a reactive intermediate for formulation adjustments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1810.21
    methanol 2914.91
    isopropanol 1536.08
    water 41.85
    ethyl acetate 1045.83
    n-propanol 1378.46
    acetone 910.49
    n-butanol 1328.3
    acetonitrile 1058.86
    DMF 923.33
    toluene 409.47
    isobutanol 917.21
    1,4-dioxane 1946.56
    methyl acetate 820.76
    THF 2092.41
    2-butanone 654.02
    n-pentanol 575.64
    sec-butanol 811.31
    n-hexane 59.99
    ethylene glycol 400.15
    NMP 281.26
    cyclohexane 81.17
    DMSO 562.5
    n-butyl acetate 533.47
    n-octanol 246.4
    chloroform 1888.09
    n-propyl acetate 401.17
    acetic acid 977.05
    dichloromethane 1280.66
    cyclohexanone 578.25
    propylene glycol 438.22
    isopropyl acetate 792.12
    DMAc 541.14
    2-ethoxyethanol 1009.73
    isopentanol 1103.23
    n-heptane 51.89
    ethyl formate 683.94
    1,2-dichloroethane 685.17
    n-hexanol 704.06
    2-methoxyethanol 1956.79
    isobutyl acetate 287.46
    tetrachloromethane 416.31
    n-pentyl acetate 299.74
    transcutol 2620.94
    n-heptanol 329.09
    ethylbenzene 162.78
    MIBK 554.88
    2-propoxyethanol 1297.78
    tert-butanol 1476.74
    MTBE 1060.88
    2-butoxyethanol 665.08
    propionic acid 653.92
    o-xylene 214.63
    formic acid 743.69
    diethyl ether 1187.23
    m-xylene 307.95
    p-xylene 219.53
    chlorobenzene 418.91
    dimethyl carbonate 335.67
    n-octane 25.13
    formamide 1124.96
    cyclopentanone 718.67
    2-pentanone 652.82
    anisole 444.53
    cyclopentyl methyl ether 631.35
    gamma-butyrolactone 882.31
    1-methoxy-2-propanol 1417.65
    pyridine 884.7
    3-pentanone 397.9
    furfural 746.19
    n-dodecane 18.98
    diethylene glycol 1032.17
    diisopropyl ether 363.5
    tert-amyl alcohol 749.37
    acetylacetone 754.93
    n-hexadecane 21.02
    acetophenone 281.34
    methyl propionate 613.35
    isopentyl acetate 495.11
    trichloroethylene 1096.68
    n-nonanol 229.13
    cyclohexanol 506.95
    benzyl alcohol 356.82
    2-ethylhexanol 289.29
    isooctanol 274.0
    dipropyl ether 368.61
    1,2-dichlorobenzene 341.47
    ethyl lactate 190.86
    propylene carbonate 491.2
    n-methylformamide 911.88
    2-pentanol 756.12
    n-pentane 104.72
    1-propoxy-2-propanol 794.8
    1-methoxy-2-propyl acetate 669.73
    2-(2-methoxypropoxy) propanol 441.58
    mesitylene 201.47
    ε-caprolactone 539.92
    p-cymene 119.57
    epichlorohydrin 1101.2
    1,1,1-trichloroethane 802.16
    2-aminoethanol 892.15
    morpholine-4-carbaldehyde 807.91
    sulfolane 456.8
    2,2,4-trimethylpentane 52.37
    2-methyltetrahydrofuran 968.64
    n-hexyl acetate 372.24
    isooctane 73.69
    2-(2-butoxyethoxy)ethanol 731.68
    sec-butyl acetate 302.08
    tert-butyl acetate 766.9
    decalin 43.45
    glycerin 605.81
    diglyme 1313.83
    acrylic acid 485.02
    isopropyl myristate 156.06
    n-butyric acid 1088.8
    acetyl acetate 606.96
    di(2-ethylhexyl) phthalate 140.17
    ethyl propionate 347.39
    nitromethane 1216.46
    1,2-diethoxyethane 935.47
    benzonitrile 435.62
    trioctyl phosphate 105.09
    1-bromopropane 483.52
    gamma-valerolactone 1046.88
    n-decanol 163.35
    triethyl phosphate 145.55
    4-methyl-2-pentanol 552.12
    propionitrile 908.56
    vinylene carbonate 559.08
    1,1,2-trichlorotrifluoroethane 607.5
    DMS 314.33
    cumene 133.37
    2-octanol 185.78
    2-hexanone 336.44
    octyl acetate 180.2
    limonene 139.21
    1,2-dimethoxyethane 1194.8
    ethyl orthosilicate 162.15
    tributyl phosphate 136.06
    diacetone alcohol 661.37
    N,N-dimethylaniline 259.75
    acrylonitrile 845.3
    aniline 628.08
    1,3-propanediol 1372.43
    bromobenzene 383.22
    dibromomethane 808.05
    1,1,2,2-tetrachloroethane 799.84
    2-methyl-cyclohexyl acetate 214.24
    tetrabutyl urea 133.91
    diisobutyl methanol 222.63
    2-phenylethanol 454.28
    styrene 190.76
    dioctyl adipate 177.76
    dimethyl sulfate 283.1
    ethyl butyrate 356.84
    methyl lactate 334.45
    butyl lactate 232.91
    diethyl carbonate 247.45
    propanediol butyl ether 452.73
    triethyl orthoformate 268.85
    p-tert-butyltoluene 135.1
    methyl 4-tert-butylbenzoate 304.82
    morpholine 1778.27
    tert-butylamine 997.05
    n-dodecanol 119.47
    dimethoxymethane 1189.95
    ethylene carbonate 540.15
    cyrene 244.27
    2-ethoxyethyl acetate 523.46
    2-ethylhexyl acetate 313.0
    1,2,4-trichlorobenzene 340.21
    4-methylpyridine 772.04
    dibutyl ether 277.61
    2,6-dimethyl-4-heptanol 222.63
    DEF 500.61
    dimethyl isosorbide 591.11
    tetrachloroethylene 650.66
    eugenol 323.0
    triacetin 315.46
    span 80 331.57
    1,4-butanediol 394.41
    1,1-dichloroethane 930.28
    2-methyl-1-pentanol 457.46
    methyl formate 619.34
    2-methyl-1-butanol 776.64
    n-decane 33.49
    butyronitrile 899.21
    3,7-dimethyl-1-octanol 272.91
    1-chlorooctane 117.32
    1-chlorotetradecane 48.82
    n-nonane 30.82
    undecane 24.07
    tert-butylcyclohexane 51.9
    cyclooctane 35.36
    cyclopentanol 538.63
    tetrahydropyran 1237.1
    tert-amyl methyl ether 505.91
    2,5,8-trioxanonane 769.85
    1-hexene 194.29
    2-isopropoxyethanol 652.41
    2,2,2-trifluoroethanol 415.59
    methyl butyrate 395.74

    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