Calamensesquiterpinenol

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  • Identifiers

    CAS number
    156158-90-6

    Molecular formula
    C15H24O2

    SMILES
    CC1CCC2C13CC(CC3O)(C(=O)C2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 71.94%
    Camphoreous 62.22%
    Herbal 62.07%
    Mint 51.0%
    Earthy 47.3%
    Pine 46.2%
    Sweet 45.31%
    Cooling 44.36%
    Spicy 40.63%
    Fresh 40.19%

     

    Flavor
    Bitter 59.78%
    Woody 47.31%
    Camphor 44.14%
    Herbal 38.34%
    Pine 34.7%
    Minty 31.51%
    Spicy 30.25%
    Balsam 28.5%
    Earthy 28.2%
    Sweet 26.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.25 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    394°C

    Flash point

    • 151.72 ˚C est.

  • Synonyms

    • Calamensesquiterpinenol
    • 10-Hydroxy-2,6,6,8-tetramethyltricyclo[6.2.1.01,5]undecan-7-one
    • CHEBI:173706
    • DTXSID001121699
    • 4-Hydroxy-3,6,8,8-tetramethylhexahydro-1H-3a,6-methanoazulen-7(4H)-one
    • (3S,3aS,4R,6R,8aR)-Hexahydro-4-hydroxy-3,6,8,8-tetramethyl-1H-3a,6-methanoazulen-7(4H)-one
    • 156158-90-6
    • 156158-90-6

  • Applications

    Calamensesquiterpinenol (CAS 156158-90-6) is a sesquiterpene alcohol primarily used as a fragrance ingredient in perfumery, where it can act as a natural odorant and, in some formulations, as a fixing component. In cosmetics and personal care, it may be used as a fragrance ingredient in products such as creams, lotions, and cleansers. In household products, it can serve as an odorant in air fresheners, detergents, and cleaners. As a fragrance/aroma constituent, it may be evaluated as an intermediate for the synthesis of other terpenoid compounds. It could also be considered for use in coatings and inks as an odorant. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.06
    methanol 318.08
    isopropanol 146.39
    water 10.07
    ethyl acetate 201.59
    n-propanol 143.19
    acetone 333.6
    n-butanol 124.16
    acetonitrile 254.7
    DMF 580.47
    toluene 189.12
    isobutanol 97.14
    1,4-dioxane 412.86
    methyl acetate 202.12
    THF 938.97
    2-butanone 196.07
    n-pentanol 59.59
    sec-butanol 69.49
    n-hexane 5.63
    ethylene glycol 82.88
    NMP 280.23
    cyclohexane 10.96
    DMSO 313.99
    n-butyl acetate 120.69
    n-octanol 50.09
    chloroform 519.78
    n-propyl acetate 105.72
    acetic acid 201.4
    dichloromethane 390.41
    cyclohexanone 299.82
    propylene glycol 62.78
    isopropyl acetate 174.85
    DMAc 231.86
    2-ethoxyethanol 151.91
    isopentanol 95.64
    n-heptane 6.73
    ethyl formate 166.49
    1,2-dichloroethane 246.65
    n-hexanol 100.23
    2-methoxyethanol 376.25
    isobutyl acetate 85.02
    tetrachloromethane 105.95
    n-pentyl acetate 105.99
    transcutol 209.08
    n-heptanol 69.91
    ethylbenzene 65.56
    MIBK 155.89
    2-propoxyethanol 276.93
    tert-butanol 134.96
    MTBE 106.1
    2-butoxyethanol 155.24
    propionic acid 118.8
    o-xylene 94.51
    formic acid 155.56
    diethyl ether 143.9
    m-xylene 144.14
    p-xylene 85.2
    chlorobenzene 190.85
    dimethyl carbonate 169.52
    n-octane 4.07
    formamide 212.55
    cyclopentanone 538.74
    2-pentanone 207.34
    anisole 142.8
    cyclopentyl methyl ether 261.93
    gamma-butyrolactone 593.57
    1-methoxy-2-propanol 297.11
    pyridine 328.78
    3-pentanone 140.43
    furfural 445.81
    n-dodecane 3.35
    diethylene glycol 230.01
    diisopropyl ether 54.07
    tert-amyl alcohol 66.89
    acetylacetone 309.39
    n-hexadecane 4.01
    acetophenone 141.0
    methyl propionate 188.38
    isopentyl acetate 115.75
    trichloroethylene 491.92
    n-nonanol 49.28
    cyclohexanol 104.15
    benzyl alcohol 119.47
    2-ethylhexanol 51.75
    isooctanol 55.14
    dipropyl ether 67.73
    1,2-dichlorobenzene 173.63
    ethyl lactate 76.98
    propylene carbonate 253.16
    n-methylformamide 348.99
    2-pentanol 76.43
    n-pentane 8.96
    1-propoxy-2-propanol 159.69
    1-methoxy-2-propyl acetate 186.93
    2-(2-methoxypropoxy) propanol 99.25
    mesitylene 84.28
    ε-caprolactone 238.98
    p-cymene 46.25
    epichlorohydrin 542.2
    1,1,1-trichloroethane 257.11
    2-aminoethanol 114.57
    morpholine-4-carbaldehyde 383.99
    sulfolane 417.35
    2,2,4-trimethylpentane 5.9
    2-methyltetrahydrofuran 289.16
    n-hexyl acetate 118.95
    isooctane 8.06
    2-(2-butoxyethoxy)ethanol 131.45
    sec-butyl acetate 81.2
    tert-butyl acetate 176.48
    decalin 9.1
    glycerin 138.35
    diglyme 276.43
    acrylic acid 132.2
    isopropyl myristate 46.74
    n-butyric acid 181.52
    acetyl acetate 191.23
    di(2-ethylhexyl) phthalate 54.98
    ethyl propionate 112.62
    nitromethane 458.42
    1,2-diethoxyethane 94.96
    benzonitrile 185.23
    trioctyl phosphate 43.43
    1-bromopropane 108.61
    gamma-valerolactone 603.24
    n-decanol 34.58
    triethyl phosphate 53.78
    4-methyl-2-pentanol 61.31
    propionitrile 202.3
    vinylene carbonate 270.26
    1,1,2-trichlorotrifluoroethane 282.86
    DMS 142.58
    cumene 47.35
    2-octanol 43.54
    2-hexanone 92.05
    octyl acetate 57.57
    limonene 47.41
    1,2-dimethoxyethane 252.62
    ethyl orthosilicate 49.54
    tributyl phosphate 45.07
    diacetone alcohol 162.63
    N,N-dimethylaniline 92.71
    acrylonitrile 296.64
    aniline 178.78
    1,3-propanediol 172.34
    bromobenzene 200.81
    dibromomethane 222.87
    1,1,2,2-tetrachloroethane 317.36
    2-methyl-cyclohexyl acetate 80.29
    tetrabutyl urea 56.14
    diisobutyl methanol 39.25
    2-phenylethanol 135.22
    styrene 75.41
    dioctyl adipate 59.89
    dimethyl sulfate 233.32
    ethyl butyrate 87.66
    methyl lactate 130.08
    butyl lactate 88.21
    diethyl carbonate 66.02
    propanediol butyl ether 100.17
    triethyl orthoformate 68.75
    p-tert-butyltoluene 47.84
    methyl 4-tert-butylbenzoate 141.96
    morpholine 376.43
    tert-butylamine 73.53
    n-dodecanol 24.27
    dimethoxymethane 499.94
    ethylene carbonate 231.88
    cyrene 123.78
    2-ethoxyethyl acetate 150.05
    2-ethylhexyl acetate 89.21
    1,2,4-trichlorobenzene 189.44
    4-methylpyridine 296.91
    dibutyl ether 40.11
    2,6-dimethyl-4-heptanol 39.25
    DEF 165.12
    dimethyl isosorbide 194.17
    tetrachloroethylene 247.69
    eugenol 128.51
    triacetin 119.7
    span 80 83.17
    1,4-butanediol 58.0
    1,1-dichloroethane 246.85
    2-methyl-1-pentanol 49.38
    methyl formate 342.48
    2-methyl-1-butanol 75.96
    n-decane 6.46
    butyronitrile 175.5
    3,7-dimethyl-1-octanol 45.62
    1-chlorooctane 31.51
    1-chlorotetradecane 11.72
    n-nonane 5.44
    undecane 4.54
    tert-butylcyclohexane 9.33
    cyclooctane 6.02
    cyclopentanol 147.76
    tetrahydropyran 262.19
    tert-amyl methyl ether 67.28
    2,5,8-trioxanonane 162.09
    1-hexene 23.33
    2-isopropoxyethanol 100.81
    2,2,2-trifluoroethanol 147.96
    methyl butyrate 128.35

    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