(-)-Myrtanol

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  • Identifiers

    CAS number
    53369-17-8

    Molecular formula
    C10H18O

    SMILES
    CC1([C@H]2CC[C@@H]([C@@H]1C2)CO)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.0%
    Herbal 68.57%
    Camphoreous 64.97%
    Pine 63.19%
    Mint 61.2%
    Sweet 58.31%
    Balsamic 56.04%
    Cooling 44.74%
    Earthy 40.67%
    Fresh 39.05%

     

    Flavor
    Sweet 71.53%
    Woody 56.82%
    Herbal 54.55%
    Pine 47.59%
    Balsam 47.21%
    Earthy 39.41%
    Camphor 38.92%
    Herb 34.93%
    Spicy 34.6%
    Fruit 31.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.77 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point

    • 89.8 ˚C est.

  • Synonyms

    • 53369-17-8
    • (-)-myrtanol
    • DTXSID501318073
    • (1S-(1alpha,2alpha,5alpha))-6,6-Dimethylbicyclo(3.1.1)heptane-2-methanol
    • RefChem:1049122
    • DTXCID901747864
    • 258-499-8
    • (-)-trans-Myrtanol
    • (1S,2S,5S)-(-)-Myrtanol
    • MFCD00001348
    • 3LTR68G5X4
    • [(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
    • Myrtanol, (1S,2S,5S)-(-)-
    • [(1S,2S,5S)-6,6-DIMETHYLBICYCLO[3.1.1]HEPTAN-2-YL]METHANOL
    • ((1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)methanol
    • ((1S,2S,5S)-6,6-DIMETHYLBICYCLO(3.1.1)HEPTAN-2-YL)METHANOL
    • EINECS 258-499-8
    • (-)- trans-Myrtanol
    • UNII-3LTR68G5X4
    • orb1685408
    • SCHEMBL3651148
    • (6,6-Dimethylbicyclo[3.1.1]hept-2-yl)methanol, [1S-(1.alpha.,2.alpha.,5.alpha.)]-
    • Bicyclo[3.1.1]heptane-2-methanol, 6,6-dimethyl-, [1S-(1.alpha.,2.alpha.,5.alpha.)]-
    • (1s, 2s, 5s)-(-)-myrtanol
    • HY-N9495
    • AKOS040759347
    • XM161231
    • (1S,2S,5S)-(-)-Myrtanol, 97%
    • CS-0181932
    • NS00085255
    • [(1S,2S,5S)-6,6-dimethylnorpinan-2-yl]methanol
    • ((1S,2S,5S)-6,6-dimethylbicyclo[3.1.1]-heptan-2-yl)methanol
    • (-)-trans-Myrtanol, purum, >=98.0% (sum of enantiomers, GC)
    • BICYCLO(3.1.1)HEPTANE-2-METHANOL, 6,6-DIMETHYL-, (1S,2S,5S)-
    • 53369-17-8

  • Applications

    (-)-Myrtanol (CAS 53369-17-8) is a chiral monoterpenol primarily used as an odorant in perfumery and fragrance formulations; it is also employed in cosmetics and personal care to impart distinct scent notes; it can serve as a fragrance component in household cleaning products and other consumer goods; in industrial manufacturing it may function as an intermediate in the synthesis of other fragrance compounds; and it may be evaluated for use as a flavor/aroma ingredient in food or beverages, subject to regulatory restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 974.59
    methanol 877.0
    isopropanol 831.47
    water 14.68
    ethyl acetate 617.32
    n-propanol 744.14
    acetone 717.59
    n-butanol 605.26
    acetonitrile 788.28
    DMF 442.07
    toluene 187.09
    isobutanol 439.45
    1,4-dioxane 1267.48
    methyl acetate 609.55
    THF 1709.16
    2-butanone 465.28
    n-pentanol 242.17
    sec-butanol 349.27
    n-hexane 26.91
    ethylene glycol 246.56
    NMP 208.68
    cyclohexane 57.27
    DMSO 487.68
    n-butyl acetate 418.48
    n-octanol 168.07
    chloroform 1024.96
    n-propyl acetate 244.68
    acetic acid 482.93
    dichloromethane 751.73
    cyclohexanone 447.98
    propylene glycol 242.57
    isopropyl acetate 374.4
    DMAc 217.85
    2-ethoxyethanol 441.27
    isopentanol 427.43
    n-heptane 40.5
    ethyl formate 428.87
    1,2-dichloroethane 528.54
    n-hexanol 535.06
    2-methoxyethanol 932.65
    isobutyl acetate 166.21
    tetrachloromethane 228.04
    n-pentyl acetate 191.68
    transcutol 966.38
    n-heptanol 217.34
    ethylbenzene 85.41
    MIBK 289.17
    2-propoxyethanol 903.05
    tert-butanol 776.46
    MTBE 539.96
    2-butoxyethanol 398.74
    propionic acid 408.73
    o-xylene 110.85
    formic acid 275.35
    diethyl ether 588.29
    m-xylene 161.02
    p-xylene 114.25
    chlorobenzene 250.99
    dimethyl carbonate 173.23
    n-octane 20.55
    formamide 389.86
    cyclopentanone 681.31
    2-pentanone 432.09
    anisole 212.65
    cyclopentyl methyl ether 450.22
    gamma-butyrolactone 836.81
    1-methoxy-2-propanol 689.19
    pyridine 504.73
    3-pentanone 249.86
    furfural 507.06
    n-dodecane 14.18
    diethylene glycol 649.48
    diisopropyl ether 178.57
    tert-amyl alcohol 320.62
    acetylacetone 468.65
    n-hexadecane 15.88
    acetophenone 150.76
    methyl propionate 381.34
    isopentyl acetate 329.13
    trichloroethylene 759.32
    n-nonanol 140.72
    cyclohexanol 270.22
    benzyl alcohol 163.3
    2-ethylhexanol 209.83
    isooctanol 161.24
    dipropyl ether 280.15
    1,2-dichlorobenzene 205.83
    ethyl lactate 127.6
    propylene carbonate 360.98
    n-methylformamide 576.49
    2-pentanol 316.23
    n-pentane 49.45
    1-propoxy-2-propanol 526.94
    1-methoxy-2-propyl acetate 431.94
    2-(2-methoxypropoxy) propanol 217.25
    mesitylene 113.29
    ε-caprolactone 371.71
    p-cymene 84.09
    epichlorohydrin 897.83
    1,1,1-trichloroethane 503.53
    2-aminoethanol 454.94
    morpholine-4-carbaldehyde 440.7
    sulfolane 480.35
    2,2,4-trimethylpentane 24.43
    2-methyltetrahydrofuran 704.2
    n-hexyl acetate 241.69
    isooctane 35.21
    2-(2-butoxyethoxy)ethanol 364.52
    sec-butyl acetate 162.22
    tert-butyl acetate 355.1
    decalin 22.91
    glycerin 327.32
    diglyme 650.72
    acrylic acid 288.71
    isopropyl myristate 90.39
    n-butyric acid 594.47
    acetyl acetate 319.15
    di(2-ethylhexyl) phthalate 79.42
    ethyl propionate 210.88
    nitromethane 860.82
    1,2-diethoxyethane 381.4
    benzonitrile 250.59
    trioctyl phosphate 71.85
    1-bromopropane 312.19
    gamma-valerolactone 818.09
    n-decanol 103.64
    triethyl phosphate 87.15
    4-methyl-2-pentanol 222.57
    propionitrile 627.08
    vinylene carbonate 361.94
    1,1,2-trichlorotrifluoroethane 418.07
    DMS 171.99
    cumene 69.56
    2-octanol 119.87
    2-hexanone 204.57
    octyl acetate 112.5
    limonene 105.72
    1,2-dimethoxyethane 571.09
    ethyl orthosilicate 90.93
    tributyl phosphate 76.24
    diacetone alcohol 370.58
    N,N-dimethylaniline 112.51
    acrylonitrile 644.58
    aniline 273.17
    1,3-propanediol 665.5
    bromobenzene 234.64
    dibromomethane 516.32
    1,1,2,2-tetrachloroethane 516.82
    2-methyl-cyclohexyl acetate 138.43
    tetrabutyl urea 81.0
    diisobutyl methanol 150.95
    2-phenylethanol 276.18
    styrene 95.77
    dioctyl adipate 96.24
    dimethyl sulfate 176.12
    ethyl butyrate 240.7
    methyl lactate 209.85
    butyl lactate 149.38
    diethyl carbonate 146.31
    propanediol butyl ether 237.59
    triethyl orthoformate 158.06
    p-tert-butyltoluene 90.76
    methyl 4-tert-butylbenzoate 172.12
    morpholine 1099.99
    tert-butylamine 493.38
    n-dodecanol 76.0
    dimethoxymethane 554.95
    ethylene carbonate 336.44
    cyrene 140.46
    2-ethoxyethyl acetate 287.11
    2-ethylhexyl acetate 210.79
    1,2,4-trichlorobenzene 215.09
    4-methylpyridine 375.45
    dibutyl ether 153.0
    2,6-dimethyl-4-heptanol 150.95
    DEF 250.68
    dimethyl isosorbide 314.38
    tetrachloroethylene 394.97
    eugenol 178.26
    triacetin 173.47
    span 80 182.79
    1,4-butanediol 182.1
    1,1-dichloroethane 611.46
    2-methyl-1-pentanol 165.54
    methyl formate 460.84
    2-methyl-1-butanol 285.68
    n-decane 25.4
    butyronitrile 605.59
    3,7-dimethyl-1-octanol 153.29
    1-chlorooctane 92.26
    1-chlorotetradecane 34.35
    n-nonane 25.11
    undecane 18.28
    tert-butylcyclohexane 26.9
    cyclooctane 24.61
    cyclopentanol 359.45
    tetrahydropyran 846.79
    tert-amyl methyl ether 221.12
    2,5,8-trioxanonane 348.03
    1-hexene 89.57
    2-isopropoxyethanol 301.33
    2,2,2-trifluoroethanol 249.7
    methyl butyrate 239.23

    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