Bicyclo[3.1.1]hept-3-en-2-ol, 2,6,6-trimethyl-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    38211-98-2

    Molecular formula
    C10H16O

    SMILES
    CC1(C2CC1C(C=C2)(C)O)C

  • Odor profile

    Herbal 72.42%
    Woody 65.2%
    Mint 59.22%
    Camphoreous 58.25%
    Sweet 57.94%
    Pine 55.61%
    Spicy 51.59%
    Fresh 48.02%
    Fruity 47.36%
    Balsamic 47.29%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.7 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    194°C

    Flash point est.
    75.39 ˚C

  • Synonyms

    • 43119-66-0
    • Bicyclo[3.1.1]hept-3-en-2-ol, 2,6,6-trimethyl-
    • cis-Pinen-3-ol
    • NSC408720
    • 2,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol
    • SCHEMBL7928999
    • DTXSID80325122
    • QBKKSIMANOEXOI-UHFFFAOYSA-N
    • NSC408719
    • NSC-408719
    • NSC-408720
    • 2,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-ol #

  • Applications

    Bicyclo[3.1.1]hept-3-en-2-ol, 2,6,6-trimethyl- (CAS 38211-98-2) is a pinane-frame terpenic alcohol used as a fragrance ingredient imparting piney, herbaceous, slightly camphoraceous notes in fine fragrances, cleaners and air-care; as a flavor modifier at very low levels to add a fresh pine–citrus lift; as a versatile intermediate that can be oxidized to verbenone or converted to verbenyl esters, camphor-related derivatives and chiral synthons for pharmaceutical/agrochemical routes; and as an analytical standard and reference in chemical ecology (verbenol stereoisomers act as pheromone components of certain bark beetles) and in studies of terpenes’ antimicrobial/deodorant performance; it also fits “pine-derived/naturally sourced” positioning provided IFRA/REACH compliance, skin-sensitization management, and proper storage/handling.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 380.24
    methanol 459.26
    isopropanol 274.89
    water 6.52
    ethyl acetate 262.66
    n-propanol 291.72
    acetone 294.24
    n-butanol 260.04
    acetonitrile 324.98
    DMF 271.45
    toluene 152.38
    isobutanol 196.0
    1,4-dioxane 559.34
    methyl acetate 257.59
    THF 835.1
    2-butanone 234.71
    n-pentanol 143.05
    sec-butanol 197.79
    n-hexane 60.91
    ethylene glycol 92.51
    NMP 217.94
    cyclohexane 68.44
    DMSO 204.44
    n-butyl acetate 190.96
    n-octanol 139.15
    chloroform 469.01
    n-propyl acetate 128.16
    acetic acid 226.07
    dichloromethane 364.54
    cyclohexanone 257.18
    propylene glycol 118.46
    isopropyl acetate 174.24
    DMAc 167.28
    2-ethoxyethanol 196.71
    isopentanol 196.68
    n-heptane 55.02
    ethyl formate 156.68
    1,2-dichloroethane 214.68
    n-hexanol 313.08
    2-methoxyethanol 376.03
    isobutyl acetate 98.8
    tetrachloromethane 114.4
    n-pentyl acetate 121.38
    transcutol 569.48
    n-heptanol 150.57
    ethylbenzene 75.3
    MIBK 160.26
    2-propoxyethanol 417.34
    tert-butanol 276.06
    MTBE 250.56
    2-butoxyethanol 217.66
    propionic acid 193.27
    o-xylene 94.13
    formic acid 144.78
    diethyl ether 326.44
    m-xylene 131.89
    p-xylene 93.5
    chlorobenzene 149.89
    dimethyl carbonate 112.15
    n-octane 22.52
    formamide 176.74
    cyclopentanone 372.09
    2-pentanone 224.39
    anisole 136.2
    cyclopentyl methyl ether 327.09
    gamma-butyrolactone 417.96
    1-methoxy-2-propanol 321.43
    pyridine 241.43
    3-pentanone 165.4
    furfural 259.41
    n-dodecane 17.08
    diethylene glycol 290.04
    diisopropyl ether 130.43
    tert-amyl alcohol 183.5
    acetylacetone 204.83
    n-hexadecane 18.78
    acetophenone 105.5
    methyl propionate 202.39
    isopentyl acetate 168.11
    trichloroethylene 331.25
    n-nonanol 117.37
    cyclohexanol 176.41
    benzyl alcohol 99.69
    2-ethylhexanol 151.92
    isooctanol 111.18
    dipropyl ether 187.02
    1,2-dichlorobenzene 127.6
    ethyl lactate 82.23
    propylene carbonate 202.83
    n-methylformamide 230.44
    2-pentanol 185.05
    n-pentane 73.09
    1-propoxy-2-propanol 267.27
    1-methoxy-2-propyl acetate 225.17
    2-(2-methoxypropoxy) propanol 161.27
    mesitylene 90.4
    ε-caprolactone 241.43
    p-cymene 67.34
    epichlorohydrin 385.7
    1,1,1-trichloroethane 230.86
    2-aminoethanol 181.81
    morpholine-4-carbaldehyde 284.36
    sulfolane 274.61
    2,2,4-trimethylpentane 33.03
    2-methyltetrahydrofuran 421.42
    n-hexyl acetate 180.64
    isooctane 36.9
    2-(2-butoxyethoxy)ethanol 239.79
    sec-butyl acetate 102.97
    tert-butyl acetate 187.83
    decalin 35.48
    glycerin 152.97
    diglyme 355.08
    acrylic acid 155.02
    isopropyl myristate 80.37
    n-butyric acid 224.49
    acetyl acetate 164.7
    di(2-ethylhexyl) phthalate 70.37
    ethyl propionate 126.97
    nitromethane 326.67
    1,2-diethoxyethane 222.64
    benzonitrile 134.58
    trioctyl phosphate 62.44
    1-bromopropane 184.15
    gamma-valerolactone 394.32
    n-decanol 87.21
    triethyl phosphate 69.37
    4-methyl-2-pentanol 133.55
    propionitrile 241.93
    vinylene carbonate 192.15
    1,1,2-trichlorotrifluoroethane 203.12
    DMS 135.91
    cumene 63.62
    2-octanol 94.35
    2-hexanone 132.55
    octyl acetate 95.24
    limonene 91.2
    1,2-dimethoxyethane 280.27
    ethyl orthosilicate 71.84
    tributyl phosphate 70.2
    diacetone alcohol 186.97
    N,N-dimethylaniline 95.28
    acrylonitrile 231.44
    aniline 160.97
    1,3-propanediol 218.55
    bromobenzene 146.27
    dibromomethane 260.94
    1,1,2,2-tetrachloroethane 247.71
    2-methyl-cyclohexyl acetate 110.62
    tetrabutyl urea 73.32
    diisobutyl methanol 95.17
    2-phenylethanol 157.52
    styrene 78.05
    dioctyl adipate 87.17
    dimethyl sulfate 122.63
    ethyl butyrate 131.33
    methyl lactate 119.66
    butyl lactate 101.96
    diethyl carbonate 93.48
    propanediol butyl ether 173.31
    triethyl orthoformate 104.34
    p-tert-butyltoluene 72.84
    methyl 4-tert-butylbenzoate 130.7
    morpholine 496.14
    tert-butylamine 213.99
    n-dodecanol 66.9
    dimethoxymethane 327.27
    ethylene carbonate 174.01
    cyrene 120.2
    2-ethoxyethyl acetate 169.51
    2-ethylhexyl acetate 132.53
    1,2,4-trichlorobenzene 141.52
    4-methylpyridine 213.66
    dibutyl ether 130.82
    2,6-dimethyl-4-heptanol 95.17
    DEF 170.64
    dimethyl isosorbide 235.2
    tetrachloroethylene 182.77
    eugenol 123.04
    triacetin 141.95
    span 80 144.43
    1,4-butanediol 77.9
    1,1-dichloroethane 249.34
    2-methyl-1-pentanol 117.13
    methyl formate 182.6
    2-methyl-1-butanol 174.27
    n-decane 29.73
    butyronitrile 234.5
    3,7-dimethyl-1-octanol 123.33
    1-chlorooctane 85.89
    1-chlorotetradecane 37.19
    n-nonane 29.42
    undecane 21.96
    tert-butylcyclohexane 36.51
    cyclooctane 34.92
    cyclopentanol 206.85
    tetrahydropyran 440.03
    tert-amyl methyl ether 168.15
    2,5,8-trioxanonane 234.82
    1-hexene 119.9
    2-isopropoxyethanol 145.11
    2,2,2-trifluoroethanol 116.66
    methyl butyrate 133.55

    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

Botanical

Name CAS Botanical Proportion
Pinus pinaster (Portugal) 1 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.01%