Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)-

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  • Identifiers

    CAS number
    105463-44-3

    Molecular formula
    C14H26O

    SMILES
    CC1(CCCCC(C1(CC=C)O)(C)C)C

  • Odor profile

    Fragrance
    Herbal 71.66%
    Woody 66.2%
    Earthy 62.49%
    Camphoreous 58.34%
    Green 44.31%
    Mint 44.27%
    Pine 41.17%
    Spicy 36.09%
    Cooling 36.01%
    Musty 34.08%

     

    Flavor
    Woody 72.78%
    Sweet 46.99%
    Herbal 46.7%
    Camphor 41.65%
    Floral 36.56%
    Fruity 32.91%
    Earthy 31.86%
    Pine 30.05%
    Spicy 29.15%
    Green 29.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    8.65 (weak base)

    Molecular weight
    210.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 104.6 ˚C est.

  • Synonyms

    • 105463-44-3
    • Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)-
    • 2,2,7,7-tetramethyl-1-prop-2-enylcycloheptan-1-ol
    • DTXSID8075178
    • 1-allyl-2,2,7,7-tetramethylcycloheptanol
    • SCHEMBL3506476
    • DTXCID8032960
    • 1-allyl-2,2,7,7-tetramethyl cycloheptanol
    • 1-Allyl-2,2,7,7-tetramethylcycloheptan-1-ol
    • Cycloheptanol,2,2,7,7-tetramethyl-1-(2-propenyl)-

  • Applications

    Cycloheptanol, 2,2,7,7-tetramethyl-1-(2-propenyl)- (CAS 105463-44-3) is primarily used as a fragrance ingredient and odorant, where it can function as a fixative to help retain aroma in perfumery. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance component, and in household products such as cleaners and air fresheners for odor delivery. In industrial manufacturing it serves as an intermediate in the synthesis of specialty aroma chemicals and other fragrance-related intermediates. It may also be used as a building block or functional component in polymers/plastics and can be considered for inclusion in coatings or inks where fragrance or odor-release aspects are desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.31
    methanol 686.55
    isopropanol 647.41
    water 2.4
    ethyl acetate 556.24
    n-propanol 677.58
    acetone 754.95
    n-butanol 605.7
    acetonitrile 560.35
    DMF 1295.87
    toluene 672.7
    isobutanol 612.7
    1,4-dioxane 1337.19
    methyl acetate 528.0
    THF 2559.72
    2-butanone 661.65
    n-pentanol 434.68
    sec-butanol 607.95
    n-hexane 280.59
    ethylene glycol 112.75
    NMP 1218.47
    cyclohexane 500.68
    DMSO 683.1
    n-butyl acetate 693.94
    n-octanol 468.66
    chloroform 1977.71
    n-propyl acetate 469.85
    acetic acid 365.14
    dichloromethane 1453.26
    cyclohexanone 1268.08
    propylene glycol 182.35
    isopropyl acetate 470.99
    DMAc 769.04
    2-ethoxyethanol 417.36
    isopentanol 527.4
    n-heptane 327.07
    ethyl formate 436.42
    1,2-dichloroethane 868.91
    n-hexanol 776.37
    2-methoxyethanol 610.04
    isobutyl acetate 394.95
    tetrachloromethane 673.68
    n-pentyl acetate 564.08
    transcutol 702.55
    n-heptanol 491.22
    ethylbenzene 405.46
    MIBK 504.18
    2-propoxyethanol 790.34
    tert-butanol 794.97
    MTBE 779.93
    2-butoxyethanol 534.63
    propionic acid 401.2
    o-xylene 464.32
    formic acid 120.8
    diethyl ether 819.11
    m-xylene 546.06
    p-xylene 529.3
    chlorobenzene 711.88
    dimethyl carbonate 299.09
    n-octane 127.1
    formamide 188.65
    cyclopentanone 1511.13
    2-pentanone 650.32
    anisole 546.01
    cyclopentyl methyl ether 1085.17
    gamma-butyrolactone 1577.11
    1-methoxy-2-propanol 578.46
    pyridine 933.99
    3-pentanone 509.9
    furfural 943.65
    n-dodecane 78.68
    diethylene glycol 399.9
    diisopropyl ether 391.75
    tert-amyl alcohol 592.61
    acetylacetone 598.14
    n-hexadecane 91.26
    acetophenone 472.85
    methyl propionate 499.32
    isopentyl acetate 655.58
    trichloroethylene 1459.14
    n-nonanol 379.26
    cyclohexanol 735.91
    benzyl alcohol 382.41
    2-ethylhexanol 507.73
    isooctanol 412.16
    dipropyl ether 732.8
    1,2-dichlorobenzene 685.88
    ethyl lactate 233.52
    propylene carbonate 816.36
    n-methylformamide 546.46
    2-pentanol 511.92
    n-pentane 293.51
    1-propoxy-2-propanol 641.95
    1-methoxy-2-propyl acetate 571.1
    2-(2-methoxypropoxy) propanol 349.77
    mesitylene 430.73
    ε-caprolactone 994.75
    p-cymene 375.68
    epichlorohydrin 1303.77
    1,1,1-trichloroethane 1095.23
    2-aminoethanol 262.79
    morpholine-4-carbaldehyde 1027.69
    sulfolane 1459.99
    2,2,4-trimethylpentane 146.75
    2-methyltetrahydrofuran 1448.01
    n-hexyl acetate 705.7
    isooctane 147.39
    2-(2-butoxyethoxy)ethanol 459.94
    sec-butyl acetate 349.43
    tert-butyl acetate 565.46
    decalin 202.39
    glycerin 215.03
    diglyme 859.32
    acrylic acid 316.73
    isopropyl myristate 296.3
    n-butyric acid 582.81
    acetyl acetate 355.58
    di(2-ethylhexyl) phthalate 236.31
    ethyl propionate 427.78
    nitromethane 630.08
    1,2-diethoxyethane 519.49
    benzonitrile 595.66
    trioctyl phosphate 226.97
    1-bromopropane 741.37
    gamma-valerolactone 1472.85
    n-decanol 263.73
    triethyl phosphate 252.47
    4-methyl-2-pentanol 336.48
    propionitrile 660.3
    vinylene carbonate 726.58
    1,1,2-trichlorotrifluoroethane 709.4
    DMS 399.99
    cumene 321.47
    2-octanol 408.83
    2-hexanone 525.52
    octyl acetate 352.39
    limonene 507.12
    1,2-dimethoxyethane 937.93
    ethyl orthosilicate 269.26
    tributyl phosphate 236.03
    diacetone alcohol 480.89
    N,N-dimethylaniline 432.34
    acrylonitrile 610.1
    aniline 500.99
    1,3-propanediol 355.86
    bromobenzene 802.65
    dibromomethane 1107.76
    1,1,2,2-tetrachloroethane 1276.52
    2-methyl-cyclohexyl acetate 464.8
    tetrabutyl urea 311.69
    diisobutyl methanol 346.53
    2-phenylethanol 508.69
    styrene 434.22
    dioctyl adipate 340.82
    dimethyl sulfate 436.55
    ethyl butyrate 507.56
    methyl lactate 269.38
    butyl lactate 390.53
    diethyl carbonate 330.38
    propanediol butyl ether 408.48
    triethyl orthoformate 401.23
    p-tert-butyltoluene 387.55
    methyl 4-tert-butylbenzoate 536.97
    morpholine 1308.6
    tert-butylamine 659.87
    n-dodecanol 200.04
    dimethoxymethane 884.48
    ethylene carbonate 638.4
    cyrene 394.32
    2-ethoxyethyl acetate 505.6
    2-ethylhexyl acetate 542.9
    1,2,4-trichlorobenzene 714.84
    4-methylpyridine 956.81
    dibutyl ether 480.05
    2,6-dimethyl-4-heptanol 346.53
    DEF 647.9
    dimethyl isosorbide 740.94
    tetrachloroethylene 987.54
    eugenol 406.48
    triacetin 430.26
    span 80 386.39
    1,4-butanediol 179.6
    1,1-dichloroethane 950.08
    2-methyl-1-pentanol 374.32
    methyl formate 485.78
    2-methyl-1-butanol 515.69
    n-decane 149.07
    butyronitrile 730.23
    3,7-dimethyl-1-octanol 374.06
    1-chlorooctane 394.9
    1-chlorotetradecane 153.32
    n-nonane 161.23
    undecane 103.78
    tert-butylcyclohexane 200.72
    cyclooctane 215.12
    cyclopentanol 849.96
    tetrahydropyran 1539.5
    tert-amyl methyl ether 563.57
    2,5,8-trioxanonane 553.07
    1-hexene 494.91
    2-isopropoxyethanol 348.99
    2,2,2-trifluoroethanol 194.04
    methyl butyrate 547.86

    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