2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-1-ol

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  • Identifiers

    CAS number
    862847-49-2

    Molecular formula
    C10H16O

    SMILES
    CC1=CCC2CC1(C2(C)C)O

  • Odor profile

    Fragrance
    Camphoreous 60.76%
    Earthy 56.95%
    Woody 54.09%
    Mint 50.41%
    Sweet 50.24%
    Herbal 48.75%
    Musty 45.66%
    Cooling 40.44%
    Pine 39.58%
    Green 37.53%

     

    Flavor
    Woody 61.23%
    Camphor 50.28%
    Sweet 44.49%
    Bitter 44.46%
    Pine 44.34%
    Herbal 42.61%
    Balsam 33.87%
    Earthy 33.79%
    Spicy 33.43%
    Fresh 32.31%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.43 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point

    • 72.54 ˚C est.

  • Synonyms

    • 2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-1-ol
    • 862847-49-2
    • 2,6,6-Trimethylbicyclo(3.1.1)hept-2-en-1-ol
    • pinenol
    • DTXSID601263891

  • Applications

    2,6,6-Trimethylbicyclo[3.1.1]hept-2-en-1-ol (CAS 862847-49-2) is a terpene-like bicyclic alcohol commonly used in fragrance and cosmetics as an odorant and fragrance fixative for perfumes and personal-care products. It is also regarded as an intermediate for the synthesis of more complex terpenoid compounds. The presence of the hydroxyl group enables its use as a building block or precursor in polymer or plastic material routes and it may be employed in coatings or inks to impart or stabilize aroma. Additionally, it can appear in household cleaning products to provide fragrance or sensory appeal. Actual use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 312.69
    methanol 461.28
    isopropanol 234.9
    water 11.93
    ethyl acetate 202.96
    n-propanol 256.87
    acetone 222.12
    n-butanol 236.89
    acetonitrile 236.75
    DMF 315.43
    toluene 141.19
    isobutanol 172.64
    1,4-dioxane 435.68
    methyl acetate 193.69
    THF 537.07
    2-butanone 174.94
    n-pentanol 132.45
    sec-butanol 152.92
    n-hexane 28.26
    ethylene glycol 90.34
    NMP 145.16
    cyclohexane 32.19
    DMSO 163.3
    n-butyl acetate 146.76
    n-octanol 94.09
    chloroform 474.53
    n-propyl acetate 110.33
    acetic acid 186.78
    dichloromethane 345.87
    cyclohexanone 193.12
    propylene glycol 86.21
    isopropyl acetate 159.15
    DMAc 185.18
    2-ethoxyethanol 221.09
    isopentanol 183.01
    n-heptane 27.43
    ethyl formate 142.22
    1,2-dichloroethane 196.71
    n-hexanol 196.64
    2-methoxyethanol 397.07
    isobutyl acetate 91.67
    tetrachloromethane 137.47
    n-pentyl acetate 115.87
    transcutol 578.86
    n-heptanol 125.27
    ethylbenzene 84.53
    MIBK 148.93
    2-propoxyethanol 347.52
    tert-butanol 231.34
    MTBE 208.42
    2-butoxyethanol 227.62
    propionic acid 141.64
    o-xylene 103.31
    formic acid 158.28
    diethyl ether 245.44
    m-xylene 127.49
    p-xylene 119.61
    chlorobenzene 150.09
    dimethyl carbonate 108.03
    n-octane 13.52
    formamide 260.47
    cyclopentanone 258.09
    2-pentanone 173.61
    anisole 168.33
    cyclopentyl methyl ether 199.87
    gamma-butyrolactone 273.37
    1-methoxy-2-propanol 291.12
    pyridine 238.46
    3-pentanone 130.01
    furfural 256.17
    n-dodecane 9.49
    diethylene glycol 257.63
    diisopropyl ether 101.65
    tert-amyl alcohol 159.49
    acetylacetone 198.51
    n-hexadecane 10.7
    acetophenone 129.6
    methyl propionate 157.71
    isopentyl acetate 150.05
    trichloroethylene 342.66
    n-nonanol 90.48
    cyclohexanol 125.39
    benzyl alcohol 121.59
    2-ethylhexanol 103.39
    isooctanol 102.1
    dipropyl ether 132.25
    1,2-dichlorobenzene 147.01
    ethyl lactate 68.18
    propylene carbonate 152.47
    n-methylformamide 228.88
    2-pentanol 150.62
    n-pentane 38.87
    1-propoxy-2-propanol 214.13
    1-methoxy-2-propyl acetate 205.63
    2-(2-methoxypropoxy) propanol 166.11
    mesitylene 93.45
    ε-caprolactone 179.03
    p-cymene 67.24
    epichlorohydrin 322.93
    1,1,1-trichloroethane 233.67
    2-aminoethanol 178.01
    morpholine-4-carbaldehyde 275.38
    sulfolane 196.12
    2,2,4-trimethylpentane 22.1
    2-methyltetrahydrofuran 260.54
    n-hexyl acetate 146.82
    isooctane 27.08
    2-(2-butoxyethoxy)ethanol 243.46
    sec-butyl acetate 95.75
    tert-butyl acetate 184.48
    decalin 25.89
    glycerin 136.85
    diglyme 401.22
    acrylic acid 129.47
    isopropyl myristate 69.81
    n-butyric acid 189.64
    acetyl acetate 150.28
    di(2-ethylhexyl) phthalate 66.25
    ethyl propionate 109.34
    nitromethane 292.76
    1,2-diethoxyethane 224.56
    benzonitrile 146.16
    trioctyl phosphate 51.79
    1-bromopropane 135.7
    gamma-valerolactone 334.54
    n-decanol 65.53
    triethyl phosphate 66.39
    4-methyl-2-pentanol 115.58
    propionitrile 196.24
    vinylene carbonate 171.78
    1,1,2-trichlorotrifluoroethane 203.91
    DMS 126.97
    cumene 70.49
    2-octanol 74.79
    2-hexanone 114.62
    octyl acetate 78.01
    limonene 73.08
    1,2-dimethoxyethane 311.44
    ethyl orthosilicate 72.86
    tributyl phosphate 57.46
    diacetone alcohol 176.57
    N,N-dimethylaniline 123.17
    acrylonitrile 213.3
    aniline 171.85
    1,3-propanediol 237.54
    bromobenzene 146.53
    dibromomethane 227.28
    1,1,2,2-tetrachloroethane 258.35
    2-methyl-cyclohexyl acetate 99.8
    tetrabutyl urea 65.6
    diisobutyl methanol 80.46
    2-phenylethanol 170.38
    styrene 87.75
    dioctyl adipate 78.26
    dimethyl sulfate 119.94
    ethyl butyrate 116.82
    methyl lactate 100.89
    butyl lactate 94.4
    diethyl carbonate 84.22
    propanediol butyl ether 157.54
    triethyl orthoformate 100.94
    p-tert-butyltoluene 71.64
    methyl 4-tert-butylbenzoate 153.97
    morpholine 389.06
    tert-butylamine 178.7
    n-dodecanol 47.99
    dimethoxymethane 318.43
    ethylene carbonate 149.11
    cyrene 119.26
    2-ethoxyethyl acetate 177.47
    2-ethylhexyl acetate 116.01
    1,2,4-trichlorobenzene 154.69
    4-methylpyridine 218.81
    dibutyl ether 97.1
    2,6-dimethyl-4-heptanol 80.46
    DEF 152.93
    dimethyl isosorbide 243.24
    tetrachloroethylene 212.29
    eugenol 149.17
    triacetin 137.59
    span 80 132.13
    1,4-butanediol 83.02
    1,1-dichloroethane 227.33
    2-methyl-1-pentanol 110.64
    methyl formate 167.7
    2-methyl-1-butanol 154.06
    n-decane 17.74
    butyronitrile 184.36
    3,7-dimethyl-1-octanol 97.37
    1-chlorooctane 56.02
    1-chlorotetradecane 24.01
    n-nonane 15.9
    undecane 12.46
    tert-butylcyclohexane 27.78
    cyclooctane 18.54
    cyclopentanol 141.9
    tetrahydropyran 280.65
    tert-amyl methyl ether 140.62
    2,5,8-trioxanonane 262.77
    1-hexene 72.03
    2-isopropoxyethanol 151.37
    2,2,2-trifluoroethanol 113.24
    methyl butyrate 119.9

    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