1-(1-(2,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethoxy)-2-propanol

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  • Identifiers

    CAS number
    401913-53-9

    Molecular formula
    C14H26O2

    SMILES
    CC1C2CCC(C2)C1(C)C(C)OCC(C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 66.22%
    Sandalwood 42.77%
    Amber 40.33%
    Musk 33.1%
    Mint 32.49%
    Dry 32.46%
    Floral 27.83%
    Cedar 27.79%
    Fruity 26.85%
    Balsamic 26.8%

     

    Flavor
    Fruity 44.47%
    Green 43.87%
    Sweet 39.91%
    Herbal 37.13%
    Tropical 34.91%
    Woody 32.68%
    Fruit 27.61%
    Earthy 26.52%
    Herb 26.21%
    Mild 25.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.24 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    293°C

    Flash point

    • 115.63 ˚C est.

  • Synonyms

    • 1-[1-(2,3-Dimethylbicyclo[2.2.1]hept-2-yl)ethoxy]-2-propanol
    • 401913-53-9
    • 1-(1-(2,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethoxy)-2-propanol
    • RefChem:222355
    • GNLKEDIFSGQWMA-UHFFFAOYSA-N
    • DTXSID201185350
    • 1-[1-(2,3-Dimethylbicyclo[2.2.1]heptan-2-yl)ethoxy]propan-2-ol
    • 401913-53-9

  • Applications

    1-(1-(2,3-Dimethylbicyclo(2.2.1)hept-2-yl)ethoxy)-2-propanol (CAS 401913-53-9) is commonly evaluated as a specialty ingredient in fragrance chemistry and cosmetics, where its rigid norbornane-derived skeleton can contribute distinctive aroma notes and may serve as a fixative to improve fragrance longevity. It may function as a fragrance odorant or aroma chemical, and as a co-solvent or compatibilizer in cosmetic formulations. In industrial manufacturing, it can be used as an intermediate for the synthesis of fragrance compounds or other specialty chemicals. The diol functionality and the ether linkage also allow it to act as a building block in polymer and adhesive applications, where it can participate in polyurethane or other polymer systems as a diol precursor or crosslinking component. Additionally, it may be employed in household cleaning products as part of fragrance formulations to provide scent retention and formulation stability, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3521.96
    methanol 3731.15
    isopropanol 3750.36
    water 32.96
    ethyl acetate 3238.87
    n-propanol 2895.86
    acetone 2775.33
    n-butanol 2847.42
    acetonitrile 2814.03
    DMF 1871.57
    toluene 1194.43
    isobutanol 2324.76
    1,4-dioxane 4961.74
    methyl acetate 2013.78
    THF 5745.22
    2-butanone 1764.07
    n-pentanol 1068.25
    sec-butanol 1864.24
    n-hexane 232.81
    ethylene glycol 649.17
    NMP 756.36
    cyclohexane 679.15
    DMSO 1349.83
    n-butyl acetate 1921.45
    n-octanol 538.19
    chloroform 4565.91
    n-propyl acetate 1321.16
    acetic acid 2167.97
    dichloromethane 3454.94
    cyclohexanone 2087.68
    propylene glycol 810.35
    isopropyl acetate 2658.42
    DMAc 973.04
    2-ethoxyethanol 1827.98
    isopentanol 2439.82
    n-heptane 158.73
    ethyl formate 1814.5
    1,2-dichloroethane 2336.84
    n-hexanol 1793.01
    2-methoxyethanol 3553.16
    isobutyl acetate 998.76
    tetrachloromethane 1314.34
    n-pentyl acetate 875.95
    transcutol 4478.66
    n-heptanol 674.68
    ethylbenzene 518.68
    MIBK 1457.88
    2-propoxyethanol 2697.21
    tert-butanol 3988.68
    MTBE 3833.11
    2-butoxyethanol 1224.05
    propionic acid 1471.62
    o-xylene 657.03
    formic acid 935.4
    diethyl ether 3673.96
    m-xylene 908.54
    p-xylene 687.13
    chlorobenzene 1375.27
    dimethyl carbonate 760.78
    n-octane 69.71
    formamide 1274.93
    cyclopentanone 2082.94
    2-pentanone 1881.61
    anisole 1054.35
    cyclopentyl methyl ether 2152.75
    gamma-butyrolactone 2591.2
    1-methoxy-2-propanol 2629.38
    pyridine 2054.97
    3-pentanone 1116.71
    furfural 1955.97
    n-dodecane 47.17
    diethylene glycol 1775.34
    diisopropyl ether 1296.87
    tert-amyl alcohol 1844.07
    acetylacetone 2134.73
    n-hexadecane 54.95
    acetophenone 719.93
    methyl propionate 1557.94
    isopentyl acetate 1770.47
    trichloroethylene 3178.43
    n-nonanol 453.88
    cyclohexanol 1716.62
    benzyl alcohol 731.05
    2-ethylhexanol 762.13
    isooctanol 554.61
    dipropyl ether 1115.11
    1,2-dichlorobenzene 1108.64
    ethyl lactate 517.62
    propylene carbonate 1629.22
    n-methylformamide 1657.31
    2-pentanol 1818.0
    n-pentane 410.93
    1-propoxy-2-propanol 1723.89
    1-methoxy-2-propyl acetate 1767.14
    2-(2-methoxypropoxy) propanol 729.06
    mesitylene 639.61
    ε-caprolactone 1935.82
    p-cymene 349.15
    epichlorohydrin 3120.71
    1,1,1-trichloroethane 2695.19
    2-aminoethanol 1407.11
    morpholine-4-carbaldehyde 1680.98
    sulfolane 1416.21
    2,2,4-trimethylpentane 193.45
    2-methyltetrahydrofuran 3247.75
    n-hexyl acetate 1044.3
    isooctane 217.56
    2-(2-butoxyethoxy)ethanol 1205.56
    sec-butyl acetate 1088.18
    tert-butyl acetate 2067.19
    decalin 193.27
    glycerin 1016.23
    diglyme 2413.07
    acrylic acid 1081.53
    isopropyl myristate 373.53
    n-butyric acid 2858.53
    acetyl acetate 2002.29
    di(2-ethylhexyl) phthalate 300.84
    ethyl propionate 1076.26
    nitromethane 2797.82
    1,2-diethoxyethane 1910.51
    benzonitrile 1101.95
    trioctyl phosphate 245.04
    1-bromopropane 1633.91
    gamma-valerolactone 2888.48
    n-decanol 310.62
    triethyl phosphate 391.26
    4-methyl-2-pentanol 1188.11
    propionitrile 2277.73
    vinylene carbonate 1528.55
    1,1,2-trichlorotrifluoroethane 1558.6
    DMS 811.02
    cumene 388.11
    2-octanol 425.57
    2-hexanone 913.34
    octyl acetate 423.55
    limonene 480.45
    1,2-dimethoxyethane 2906.76
    ethyl orthosilicate 438.25
    tributyl phosphate 329.45
    diacetone alcohol 1431.85
    N,N-dimethylaniline 565.84
    acrylonitrile 1931.58
    aniline 1459.55
    1,3-propanediol 2519.37
    bromobenzene 1433.55
    dibromomethane 2422.72
    1,1,2,2-tetrachloroethane 2651.15
    2-methyl-cyclohexyl acetate 675.78
    tetrabutyl urea 298.96
    diisobutyl methanol 529.32
    2-phenylethanol 917.6
    styrene 592.44
    dioctyl adipate 423.02
    dimethyl sulfate 719.62
    ethyl butyrate 1172.86
    methyl lactate 708.02
    butyl lactate 600.94
    diethyl carbonate 760.37
    propanediol butyl ether 857.98
    triethyl orthoformate 818.06
    p-tert-butyltoluene 374.69
    methyl 4-tert-butylbenzoate 648.02
    morpholine 4509.61
    tert-butylamine 2849.43
    n-dodecanol 229.45
    dimethoxymethane 2255.52
    ethylene carbonate 1761.18
    cyrene 500.04
    2-ethoxyethyl acetate 1243.46
    2-ethylhexyl acetate 1179.99
    1,2,4-trichlorobenzene 1142.67
    4-methylpyridine 1903.28
    dibutyl ether 763.53
    2,6-dimethyl-4-heptanol 529.32
    DEF 1295.23
    dimethyl isosorbide 1131.18
    tetrachloroethylene 2092.49
    eugenol 588.8
    triacetin 808.81
    span 80 614.42
    1,4-butanediol 696.27
    1,1-dichloroethane 2869.02
    2-methyl-1-pentanol 885.25
    methyl formate 1360.41
    2-methyl-1-butanol 1665.63
    n-decane 93.96
    butyronitrile 2517.06
    3,7-dimethyl-1-octanol 605.45
    1-chlorooctane 346.26
    1-chlorotetradecane 127.46
    n-nonane 91.65
    undecane 61.95
    tert-butylcyclohexane 184.36
    cyclooctane 222.31
    cyclopentanol 1655.15
    tetrahydropyran 4263.86
    tert-amyl methyl ether 1512.01
    2,5,8-trioxanonane 1208.34
    1-hexene 629.71
    2-isopropoxyethanol 1267.09
    2,2,2-trifluoroethanol 1086.39
    methyl butyrate 1308.05

    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