1-(4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-yl)ethan-1-ol

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  • Identifiers

    CAS number
    17092-94-3

    Molecular formula
    C13H20O2

    SMILES
    CC(C1C=C2C(CC=CC2(O1)C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 62.9%
    Berry 40.26%
    Woody 40.13%
    Floral 33.49%
    Sweet 27.41%
    Powdery 26.4%
    Musk 26.1%
    Raspberry 26.02%
    Tropical 23.17%
    Black currant 22.56%

     

    Flavor
    Bitter 35.32%
    Herbal 34.24%
    Floral 32.52%
    Woody 31.94%
    Fruity 28.85%
    Minty 27.3%
    Sweet 24.23%
    Herb 23.39%
    Tropical 22.64%
    Wood 22.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.85 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 139.41 ˚C est.

  • Synonyms

    • 1-(4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-yl)ethan-1-ol
    • 17092-94-3
    • 1-(4,4,7a-trimethyl-2,5-dihydro-1-benzofuran-2-yl)ethanol
    • SCHEMBL29972755
    • DTXSID20574137
    • DTXSID901183024
    • 83709-83-5
    • 2,4,5,7a-Tetrahydro-I+/-,4,4,7a-tetramethyl-2-benzofuranmethanol
    • 17092-94-3

  • Applications

    1-(4,4,7a-Trimethyl-2,4,5,7a-tetrahydro-1-benzofuran-2-yl)ethan-1-ol (CAS 17092-94-3) is typically used as an odorant/fragrance ingredient and may function as a fixative in perfumery. In practice, it is commonly evaluated for use in cosmetics and personal care to create and extend scent profiles, it can be used in household products such as scented cleaners and air fresheners, and it may serve as a flavor/aroma ingredient in select formulations. Additionally, it can act as an intermediate in the synthesis of other fragrance-related compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.75
    methanol 102.11
    isopropanol 46.0
    water 2.54
    ethyl acetate 62.97
    n-propanol 53.47
    acetone 72.04
    n-butanol 48.24
    acetonitrile 87.97
    DMF 155.97
    toluene 87.74
    isobutanol 48.14
    1,4-dioxane 176.65
    methyl acetate 79.71
    THF 213.66
    2-butanone 72.88
    n-pentanol 38.11
    sec-butanol 45.74
    n-hexane 8.39
    ethylene glycol 34.47
    NMP 184.66
    cyclohexane 23.0
    DMSO 97.33
    n-butyl acetate 65.81
    n-octanol 60.47
    chloroform 248.84
    n-propyl acetate 47.39
    acetic acid 61.29
    dichloromethane 208.5
    cyclohexanone 136.39
    propylene glycol 40.71
    isopropyl acetate 48.43
    DMAc 153.45
    2-ethoxyethanol 62.26
    isopentanol 45.26
    n-heptane 14.06
    ethyl formate 54.95
    1,2-dichloroethane 89.53
    n-hexanol 76.28
    2-methoxyethanol 113.09
    isobutyl acetate 44.59
    tetrachloromethane 47.74
    n-pentyl acetate 64.47
    transcutol 169.33
    n-heptanol 52.57
    ethylbenzene 54.09
    MIBK 47.29
    2-propoxyethanol 120.55
    tert-butanol 58.44
    MTBE 45.45
    2-butoxyethanol 77.97
    propionic acid 57.17
    o-xylene 65.57
    formic acid 36.11
    diethyl ether 50.42
    m-xylene 72.17
    p-xylene 70.96
    chlorobenzene 95.34
    dimethyl carbonate 48.54
    n-octane 8.33
    formamide 48.26
    cyclopentanone 153.79
    2-pentanone 55.33
    anisole 83.71
    cyclopentyl methyl ether 95.27
    gamma-butyrolactone 166.74
    1-methoxy-2-propanol 88.73
    pyridine 133.55
    3-pentanone 57.92
    furfural 155.08
    n-dodecane 10.26
    diethylene glycol 111.94
    diisopropyl ether 24.94
    tert-amyl alcohol 50.42
    acetylacetone 79.51
    n-hexadecane 11.67
    acetophenone 84.77
    methyl propionate 67.36
    isopentyl acetate 69.87
    trichloroethylene 171.97
    n-nonanol 56.54
    cyclohexanol 67.57
    benzyl alcohol 68.84
    2-ethylhexanol 57.11
    isooctanol 44.5
    dipropyl ether 51.39
    1,2-dichlorobenzene 93.93
    ethyl lactate 45.51
    propylene carbonate 110.11
    n-methylformamide 69.91
    2-pentanol 34.99
    n-pentane 10.4
    1-propoxy-2-propanol 83.13
    1-methoxy-2-propyl acetate 84.41
    2-(2-methoxypropoxy) propanol 94.62
    mesitylene 47.94
    ε-caprolactone 121.91
    p-cymene 50.82
    epichlorohydrin 143.24
    1,1,1-trichloroethane 93.39
    2-aminoethanol 52.26
    morpholine-4-carbaldehyde 192.39
    sulfolane 162.82
    2,2,4-trimethylpentane 8.72
    2-methyltetrahydrofuran 125.87
    n-hexyl acetate 97.36
    isooctane 6.93
    2-(2-butoxyethoxy)ethanol 103.17
    sec-butyl acetate 39.55
    tert-butyl acetate 53.14
    decalin 16.24
    glycerin 61.59
    diglyme 161.38
    acrylic acid 59.65
    isopropyl myristate 53.66
    n-butyric acid 62.15
    acetyl acetate 61.42
    di(2-ethylhexyl) phthalate 59.64
    ethyl propionate 49.84
    nitromethane 103.3
    1,2-diethoxyethane 68.29
    benzonitrile 98.62
    trioctyl phosphate 46.22
    1-bromopropane 61.63
    gamma-valerolactone 183.42
    n-decanol 45.82
    triethyl phosphate 47.1
    4-methyl-2-pentanol 30.89
    propionitrile 67.49
    vinylene carbonate 121.92
    1,1,2-trichlorotrifluoroethane 107.15
    DMS 86.5
    cumene 44.93
    2-octanol 39.43
    2-hexanone 51.3
    octyl acetate 65.73
    limonene 58.68
    1,2-dimethoxyethane 112.42
    ethyl orthosilicate 45.56
    tributyl phosphate 48.65
    diacetone alcohol 64.91
    N,N-dimethylaniline 70.57
    acrylonitrile 86.93
    aniline 78.83
    1,3-propanediol 59.24
    bromobenzene 105.94
    dibromomethane 131.89
    1,1,2,2-tetrachloroethane 134.51
    2-methyl-cyclohexyl acetate 73.28
    tetrabutyl urea 62.71
    diisobutyl methanol 37.23
    2-phenylethanol 91.62
    styrene 57.78
    dioctyl adipate 70.95
    dimethyl sulfate 71.7
    ethyl butyrate 59.75
    methyl lactate 54.17
    butyl lactate 59.67
    diethyl carbonate 52.47
    propanediol butyl ether 73.91
    triethyl orthoformate 53.9
    p-tert-butyltoluene 48.96
    methyl 4-tert-butylbenzoate 89.9
    morpholine 147.83
    tert-butylamine 44.22
    n-dodecanol 38.24
    dimethoxymethane 111.72
    ethylene carbonate 96.34
    cyrene 98.31
    2-ethoxyethyl acetate 81.93
    2-ethylhexyl acetate 63.26
    1,2,4-trichlorobenzene 106.48
    4-methylpyridine 125.38
    dibutyl ether 47.61
    2,6-dimethyl-4-heptanol 37.23
    DEF 74.74
    dimethyl isosorbide 154.1
    tetrachloroethylene 96.55
    eugenol 89.66
    triacetin 95.86
    span 80 88.29
    1,4-butanediol 32.86
    1,1-dichloroethane 85.96
    2-methyl-1-pentanol 40.94
    methyl formate 67.21
    2-methyl-1-butanol 45.82
    n-decane 15.23
    butyronitrile 59.27
    3,7-dimethyl-1-octanol 57.61
    1-chlorooctane 44.32
    1-chlorotetradecane 23.96
    n-nonane 13.46
    undecane 12.2
    tert-butylcyclohexane 14.06
    cyclooctane 11.34
    cyclopentanol 74.61
    tetrahydropyran 116.85
    tert-amyl methyl ether 42.6
    2,5,8-trioxanonane 133.52
    1-hexene 24.5
    2-isopropoxyethanol 52.76
    2,2,2-trifluoroethanol 37.59
    methyl butyrate 59.1

    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