Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-

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  • Identifiers

    CAS number
    4747-61-9

    Molecular formula
    C11H20O

    SMILES
    CC1(C2CCC(C1C2)CCO)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 83.14%
    Sweet 66.84%
    Balsamic 55.72%
    Sandalwood 53.63%
    Pine 51.46%
    Herbal 49.37%
    Camphoreous 49.07%
    Amber 45.24%
    Mint 41.91%
    Clean 40.37%

     

    Flavor
    Sweet 74.64%
    Woody 54.47%
    Herbal 54.01%
    Balsam 42.72%
    Pine 42.45%
    Green 33.95%
    Herb 33.73%
    Earthy 33.35%
    Fruit 33.03%
    Fruity 31.17%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.91 (weak base)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 101.32 ˚C est.

  • Synonyms

    • Hydronopol
    • 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethanol
    • Dihydrohomomyrtenol
    • Bicyclo[3.1.1]heptane-2-ethanol, 6,6-dimethyl-
    • Nopol (terpene), dihydro-
    • 2-Norpinaneethanol, 6,6-dimethyl-
    • NSC 1285
    • EINECS 225-267-2
    • 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethanol
    • AI3-14381
    • 6,6-Dimethylbicyclo(3.1.1)heptane-2-ethanol
    • 6,6-Dimethylbicyclo[3.1.1]heptane-2-ethanol
    • DTXSID70863447
    • Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl-
    • 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-yl)ethanol
    • 2-(6,6-dimethyl-2-bicyclo(3.1.1)heptanyl)ethanol
    • RefChem:568212
    • DTXCID80812067
    • 3GJ6TJ5GIN
    • 4747-61-9
    • Dihydronopol
    • 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethan-1-ol
    • 2-{6,6-dimethylbicyclo[3.1.1]heptan-2-yl}ethan-1-ol
    • NSC-1285
    • NSC1285
    • 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethanol
    • Pinaverium Bromide Impurity 15
    • SCHEMBL5517946
    • SCHEMBL9442581
    • 2-Norpinaneethanol,6-dimethyl-
    • MFCD25963656
    • SY371407
    • DB-286124
    • NS00005260
    • Bicyclo[3.1.1]heptane-2-ethanol,6-dimethyl-
    • EN300-2001568
    • F556058
    • 2-(6,6-Dimethylbicyclo[3.1.1]hept-2-yl)ethanol #
    • 4747-61-9

  • Applications

    Applications of Bicyclo(3.1.1)heptane-2-ethanol, 6,6-dimethyl- (CAS 4747-61-9) include its use as an intermediate in organic synthesis, providing a rigid bicyclic aliphatic scaffold that can support stereoselective transformations and functionalization; it is commonly evaluated as a chiral building block for medicinal chemistry and pharmaceutical lead development; it may serve as a precursor or building block in polymer design for specialty polymers and materials; in fragrance and cosmetics, it can be considered as a potential odorant or fragrance fixative component; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1647.76
    methanol 874.95
    isopropanol 1589.72
    water 6.1
    ethyl acetate 1263.11
    n-propanol 1444.21
    acetone 1869.32
    n-butanol 1259.4
    acetonitrile 1888.87
    DMF 1183.77
    toluene 377.75
    isobutanol 950.29
    1,4-dioxane 2461.1
    methyl acetate 1165.67
    THF 3672.34
    2-butanone 1161.23
    n-pentanol 330.81
    sec-butanol 674.15
    n-hexane 32.5
    ethylene glycol 289.91
    NMP 469.29
    cyclohexane 134.2
    DMSO 1043.05
    n-butyl acetate 796.15
    n-octanol 200.51
    chloroform 2170.43
    n-propyl acetate 426.51
    acetic acid 703.95
    dichloromethane 2016.92
    cyclohexanone 1096.59
    propylene glycol 402.7
    isopropyl acetate 702.35
    DMAc 415.82
    2-ethoxyethanol 525.84
    isopentanol 856.64
    n-heptane 67.21
    ethyl formate 1010.13
    1,2-dichloroethane 1262.71
    n-hexanol 790.16
    2-methoxyethanol 1703.74
    isobutyl acetate 252.93
    tetrachloromethane 368.44
    n-pentyl acetate 270.23
    transcutol 1397.64
    n-heptanol 255.77
    ethylbenzene 129.39
    MIBK 527.56
    2-propoxyethanol 1247.16
    tert-butanol 1364.45
    MTBE 972.69
    2-butoxyethanol 456.56
    propionic acid 717.76
    o-xylene 195.91
    formic acid 278.98
    diethyl ether 1101.41
    m-xylene 290.16
    p-xylene 170.16
    chlorobenzene 505.39
    dimethyl carbonate 325.24
    n-octane 24.64
    formamide 528.58
    cyclopentanone 1674.58
    2-pentanone 1000.78
    anisole 288.07
    cyclopentyl methyl ether 868.94
    gamma-butyrolactone 1930.54
    1-methoxy-2-propanol 1225.96
    pyridine 1017.35
    3-pentanone 560.66
    furfural 994.37
    n-dodecane 16.9
    diethylene glycol 758.62
    diisopropyl ether 275.26
    tert-amyl alcohol 547.16
    acetylacetone 925.01
    n-hexadecane 19.26
    acetophenone 229.86
    methyl propionate 818.93
    isopentyl acetate 568.24
    trichloroethylene 1717.53
    n-nonanol 164.37
    cyclohexanol 606.65
    benzyl alcohol 238.91
    2-ethylhexanol 303.64
    isooctanol 179.92
    dipropyl ether 508.94
    1,2-dichlorobenzene 367.58
    ethyl lactate 175.96
    propylene carbonate 801.85
    n-methylformamide 1149.73
    2-pentanol 611.67
    n-pentane 79.59
    1-propoxy-2-propanol 795.04
    1-methoxy-2-propyl acetate 735.16
    2-(2-methoxypropoxy) propanol 275.61
    mesitylene 178.8
    ε-caprolactone 815.13
    p-cymene 133.32
    epichlorohydrin 2076.67
    1,1,1-trichloroethane 1040.73
    2-aminoethanol 615.75
    morpholine-4-carbaldehyde 810.7
    sulfolane 1034.69
    2,2,4-trimethylpentane 33.37
    2-methyltetrahydrofuran 1607.66
    n-hexyl acetate 352.35
    isooctane 47.64
    2-(2-butoxyethoxy)ethanol 468.77
    sec-butyl acetate 254.86
    tert-butyl acetate 591.86
    decalin 33.4
    glycerin 459.86
    diglyme 915.07
    acrylic acid 481.75
    isopropyl myristate 129.23
    n-butyric acid 1180.24
    acetyl acetate 598.96
    di(2-ethylhexyl) phthalate 112.43
    ethyl propionate 369.84
    nitromethane 1679.84
    1,2-diethoxyethane 608.04
    benzonitrile 460.96
    trioctyl phosphate 101.72
    1-bromopropane 747.5
    gamma-valerolactone 1735.85
    n-decanol 122.83
    triethyl phosphate 131.69
    4-methyl-2-pentanol 347.28
    propionitrile 1426.17
    vinylene carbonate 781.03
    1,1,2-trichlorotrifluoroethane 672.11
    DMS 281.9
    cumene 91.95
    2-octanol 138.8
    2-hexanone 334.82
    octyl acetate 155.63
    limonene 190.83
    1,2-dimethoxyethane 863.4
    ethyl orthosilicate 134.67
    tributyl phosphate 120.38
    diacetone alcohol 571.38
    N,N-dimethylaniline 143.94
    acrylonitrile 1312.27
    aniline 504.44
    1,3-propanediol 1086.71
    bromobenzene 492.9
    dibromomethane 1249.91
    1,1,2,2-tetrachloroethane 1031.08
    2-methyl-cyclohexyl acetate 227.9
    tetrabutyl urea 127.03
    diisobutyl methanol 207.41
    2-phenylethanol 347.75
    styrene 152.48
    dioctyl adipate 153.12
    dimethyl sulfate 321.17
    ethyl butyrate 461.76
    methyl lactate 320.28
    butyl lactate 220.99
    diethyl carbonate 265.09
    propanediol butyl ether 342.9
    triethyl orthoformate 266.98
    p-tert-butyltoluene 140.53
    methyl 4-tert-butylbenzoate 238.02
    morpholine 2369.75
    tert-butylamine 886.65
    n-dodecanol 92.46
    dimethoxymethane 1221.31
    ethylene carbonate 750.63
    cyrene 214.95
    2-ethoxyethyl acetate 430.69
    2-ethylhexyl acetate 372.62
    1,2,4-trichlorobenzene 391.72
    4-methylpyridine 821.49
    dibutyl ether 232.22
    2,6-dimethyl-4-heptanol 207.41
    DEF 563.21
    dimethyl isosorbide 481.77
    tetrachloroethylene 659.81
    eugenol 222.17
    triacetin 268.66
    span 80 263.76
    1,4-butanediol 214.56
    1,1-dichloroethane 1490.33
    2-methyl-1-pentanol 223.42
    methyl formate 946.41
    2-methyl-1-butanol 574.23
    n-decane 30.08
    butyronitrile 1454.44
    3,7-dimethyl-1-octanol 191.96
    1-chlorooctane 124.26
    1-chlorotetradecane 44.47
    n-nonane 29.91
    undecane 21.71
    tert-butylcyclohexane 34.22
    cyclooctane 45.15
    cyclopentanol 833.56
    tetrahydropyran 2042.13
    tert-amyl methyl ether 379.17
    2,5,8-trioxanonane 483.57
    1-hexene 130.67
    2-isopropoxyethanol 344.34
    2,2,2-trifluoroethanol 310.11
    methyl butyrate 457.41

    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