(1s,2s,4r)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

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  • Identifiers

    CAS number
    5331-32-8

    Molecular formula
    C11H20O

    SMILES
    C[C@]12CC[C@@H](C1(C)C)C[C@@H]2OC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Woody 85.86%
    Camphoreous 66.16%
    Pine 62.95%
    Herbal 57.52%
    Earthy 51.69%
    Balsamic 49.4%
    Cedar 45.61%
    Dry 45.38%
    Fresh 44.69%
    Spicy 43.02%

     

    Flavor
    Woody 73.74%
    Camphor 66.11%
    Herbal 59.72%
    Pine 57.72%
    Sweet 53.17%
    Earthy 50.51%
    Green 49.17%
    Balsam 44.65%
    Earth 40.18%
    Dry 35.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.83 (neutral)

    Molecular weight
    168.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    205°C

    Flash point

    • 51.81 ˚C est.

  • Synonyms

    • Isobornyl methyl ether
    • (1s,2s,4r)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
    • 5331-32-8
    • Bornane, exo-
    • SCHEMBL3504547
    • NSC2274
    • NSC-2274
    • exo-2-Methoxy-1,7-trimethylnorbornane
    • NS00012671
    • Bicyclo[2.2.1]heptane,7,7-trimethyl-, exo-
    • exo-2-Methoxy-1,7-trimethylbicyclo[2.2.1]heptane

  • Applications

    Compound (1s,2s,4r)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane (CAS 5331-32-8) is primarily used as a chiral intermediate and fragrance-related ingredient; in perfumery it functions as an odorant and can provide a distinct, stable note, in cosmetics and personal care it is used as a fragrance additive, and in household products it serves as a fragrance component for cleaners and air fresheners; it is commonly evaluated as a synthetic building block for pharmaceuticals and agrochemicals, and may be employed in specialty polymers or coatings as a rigid, stereochemically defined scaffold.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1551.66
    methanol 1698.69
    isopropanol 1598.26
    water 121.2
    ethyl acetate 2010.43
    n-propanol 1409.63
    acetone 2111.77
    n-butanol 1251.98
    acetonitrile 2394.29
    DMF 2094.03
    toluene 1327.67
    isobutanol 1147.87
    1,4-dioxane 3472.46
    methyl acetate 1878.55
    THF 3345.96
    2-butanone 1499.89
    n-pentanol 751.68
    sec-butanol 1163.49
    n-hexane 277.89
    ethylene glycol 715.09
    NMP 1143.77
    cyclohexane 555.89
    DMSO 1326.62
    n-butyl acetate 1110.18
    n-octanol 627.39
    chloroform 6019.7
    n-propyl acetate 1095.39
    acetic acid 1438.63
    dichloromethane 4375.83
    cyclohexanone 1812.1
    propylene glycol 774.6
    isopropyl acetate 1606.27
    DMAc 1287.68
    2-ethoxyethanol 1487.63
    isopentanol 1133.54
    n-heptane 257.82
    ethyl formate 1412.06
    1,2-dichloroethane 2463.16
    n-hexanol 1047.26
    2-methoxyethanol 2341.18
    isobutyl acetate 842.02
    tetrachloromethane 2097.17
    n-pentyl acetate 803.92
    transcutol 2564.58
    n-heptanol 685.71
    ethylbenzene 850.59
    MIBK 1110.38
    2-propoxyethanol 1763.61
    tert-butanol 1782.76
    MTBE 1632.92
    2-butoxyethanol 1190.39
    propionic acid 1249.96
    o-xylene 1006.66
    formic acid 881.66
    diethyl ether 1687.92
    m-xylene 1150.25
    p-xylene 1299.5
    chlorobenzene 1695.16
    dimethyl carbonate 944.88
    n-octane 140.39
    formamide 1459.21
    cyclopentanone 2219.92
    2-pentanone 1394.7
    anisole 1614.45
    cyclopentyl methyl ether 1592.56
    gamma-butyrolactone 2575.42
    1-methoxy-2-propanol 1848.4
    pyridine 2079.38
    3-pentanone 1069.22
    furfural 2450.61
    n-dodecane 103.1
    diethylene glycol 1396.99
    diisopropyl ether 878.44
    tert-amyl alcohol 1286.04
    acetylacetone 1915.46
    n-hexadecane 119.85
    acetophenone 1187.55
    methyl propionate 1413.99
    isopentyl acetate 1130.51
    trichloroethylene 4334.61
    n-nonanol 567.12
    cyclohexanol 1207.41
    benzyl alcohol 989.87
    2-ethylhexanol 648.5
    isooctanol 595.07
    dipropyl ether 925.33
    1,2-dichlorobenzene 1676.76
    ethyl lactate 609.01
    propylene carbonate 1670.29
    n-methylformamide 1560.2
    2-pentanol 1033.65
    n-pentane 367.52
    1-propoxy-2-propanol 1250.47
    1-methoxy-2-propyl acetate 1392.77
    2-(2-methoxypropoxy) propanol 837.1
    mesitylene 906.53
    ε-caprolactone 1686.06
    p-cymene 607.48
    epichlorohydrin 2953.58
    1,1,1-trichloroethane 3796.97
    2-aminoethanol 1129.82
    morpholine-4-carbaldehyde 2108.84
    sulfolane 1941.68
    2,2,4-trimethylpentane 219.29
    2-methyltetrahydrofuran 2076.64
    n-hexyl acetate 1035.95
    isooctane 232.5
    2-(2-butoxyethoxy)ethanol 1143.3
    sec-butyl acetate 899.94
    tert-butyl acetate 1682.65
    decalin 318.15
    glycerin 1006.33
    diglyme 2357.17
    acrylic acid 1106.46
    isopropyl myristate 500.96
    n-butyric acid 1568.65
    acetyl acetate 1754.62
    di(2-ethylhexyl) phthalate 388.88
    ethyl propionate 1077.79
    nitromethane 2855.93
    1,2-diethoxyethane 1263.37
    benzonitrile 1398.79
    trioctyl phosphate 309.24
    1-bromopropane 1447.44
    gamma-valerolactone 2863.24
    n-decanol 428.16
    triethyl phosphate 499.65
    4-methyl-2-pentanol 760.88
    propionitrile 1783.61
    vinylene carbonate 1800.09
    1,1,2-trichlorotrifluoroethane 1964.42
    DMS 1096.54
    cumene 686.93
    2-octanol 518.13
    2-hexanone 949.32
    octyl acetate 542.91
    limonene 664.98
    1,2-dimethoxyethane 2358.43
    ethyl orthosilicate 526.09
    tributyl phosphate 363.55
    diacetone alcohol 1332.4
    N,N-dimethylaniline 1013.14
    acrylonitrile 2105.75
    aniline 1491.37
    1,3-propanediol 1412.15
    bromobenzene 1899.34
    dibromomethane 2769.71
    1,1,2,2-tetrachloroethane 3471.15
    2-methyl-cyclohexyl acetate 736.96
    tetrabutyl urea 379.71
    diisobutyl methanol 514.73
    2-phenylethanol 1104.28
    styrene 955.21
    dioctyl adipate 547.3
    dimethyl sulfate 1081.41
    ethyl butyrate 976.66
    methyl lactate 820.18
    butyl lactate 622.38
    diethyl carbonate 769.61
    propanediol butyl ether 825.74
    triethyl orthoformate 784.39
    p-tert-butyltoluene 650.08
    methyl 4-tert-butylbenzoate 1025.96
    morpholine 2879.48
    tert-butylamine 1412.72
    n-dodecanol 334.43
    dimethoxymethane 1885.01
    ethylene carbonate 1612.52
    cyrene 682.67
    2-ethoxyethyl acetate 1070.32
    2-ethylhexyl acetate 850.94
    1,2,4-trichlorobenzene 1772.33
    4-methylpyridine 2009.0
    dibutyl ether 704.83
    2,6-dimethyl-4-heptanol 514.73
    DEF 1228.08
    dimethyl isosorbide 1321.37
    tetrachloroethylene 2803.56
    eugenol 940.62
    triacetin 966.72
    span 80 708.92
    1,4-butanediol 605.45
    1,1-dichloroethane 3104.16
    2-methyl-1-pentanol 654.52
    methyl formate 1452.91
    2-methyl-1-butanol 962.61
    n-decane 173.23
    butyronitrile 1523.18
    3,7-dimethyl-1-octanol 620.73
    1-chlorooctane 504.16
    1-chlorotetradecane 234.57
    n-nonane 168.23
    undecane 127.28
    tert-butylcyclohexane 306.66
    cyclooctane 290.29
    cyclopentanol 1318.67
    tetrahydropyran 2231.59
    tert-amyl methyl ether 1019.76
    2,5,8-trioxanonane 1387.37
    1-hexene 592.85
    2-isopropoxyethanol 1121.16
    2,2,2-trifluoroethanol 1228.72
    methyl butyrate 1205.18

    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