1,7,7-Trimethyl-2-[(propan-2-yl)oxy]bicyclo[2.2.1]heptane

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  • Identifiers

    CAS number
    18344-40-6

    Molecular formula
    C13H24O

    SMILES
    CC(C)OC1CC2CCC1(C2(C)C)C

  • Odor profile

    Fragrance
    Woody 78.4%
    Herbal 61.57%
    Camphoreous 58.99%
    Green 58.93%
    Pine 54.77%
    Mint 52.3%
    Earthy 50.32%
    Fresh 48.4%
    Spicy 43.49%
    Cooling 41.3%

     

    Flavor
    Woody 59.49%
    Green 53.85%
    Camphor 46.94%
    Herbal 45.77%
    Pine 44.48%
    Earthy 37.18%
    Sweet 35.1%
    Balsam 31.71%
    Earth 30.19%
    Minty 29.82%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.16 (neutral)

    Molecular weight
    196.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 63.02 ˚C est.

  • Synonyms

    • isopropylbornyl ether
    • 18344-40-6
    • SCHEMBL8369710
    • DTXSID40555968
    • 1,7,7-Trimethyl-2-[(propan-2-yl)oxy]bicyclo[2.2.1]heptane

  • Applications

    1,7,7-Trimethyl-2-[(propan-2-yl)oxy]bicyclo[2.2.1]heptane (CAS 18344-40-6) is a synthetic intermediate used in organic synthesis and is commonly evaluated for fragrance and cosmetic ingredient development. Its norbornane-based scaffold can serve as a building block for specialty polymers and may function as an additive for coatings or inks. It may also be considered as a precursor or intermediate for functional compounds in industrial manufacturing, depending on formulation requirements and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 876.46
    methanol 720.06
    isopropanol 1124.35
    water 24.94
    ethyl acetate 1301.64
    n-propanol 964.89
    acetone 1326.74
    n-butanol 937.52
    acetonitrile 1347.33
    DMF 1227.55
    toluene 1476.72
    isobutanol 926.42
    1,4-dioxane 2484.14
    methyl acetate 1318.63
    THF 2648.58
    2-butanone 1256.09
    n-pentanol 643.03
    sec-butanol 1026.65
    n-hexane 392.07
    ethylene glycol 227.78
    NMP 1046.26
    cyclohexane 840.16
    DMSO 754.73
    n-butyl acetate 1172.21
    n-octanol 810.15
    chloroform 4996.62
    n-propyl acetate 913.89
    acetic acid 697.09
    dichloromethane 3512.18
    cyclohexanone 1746.19
    propylene glycol 417.61
    isopropyl acetate 1114.95
    DMAc 1121.51
    2-ethoxyethanol 769.91
    isopentanol 877.12
    n-heptane 433.41
    ethyl formate 941.97
    1,2-dichloroethane 1725.07
    n-hexanol 1038.83
    2-methoxyethanol 1073.45
    isobutyl acetate 813.06
    tetrachloromethane 1482.99
    n-pentyl acetate 838.33
    transcutol 1633.48
    n-heptanol 732.28
    ethylbenzene 989.94
    MIBK 823.17
    2-propoxyethanol 1125.08
    tert-butanol 1272.34
    MTBE 1406.55
    2-butoxyethanol 914.94
    propionic acid 774.78
    o-xylene 1086.66
    formic acid 218.64
    diethyl ether 1155.91
    m-xylene 1156.31
    p-xylene 1613.76
    chlorobenzene 1638.34
    dimethyl carbonate 555.09
    n-octane 230.66
    formamide 437.43
    cyclopentanone 1751.39
    2-pentanone 988.15
    anisole 1417.43
    cyclopentyl methyl ether 1362.88
    gamma-butyrolactone 1839.75
    1-methoxy-2-propanol 1008.49
    pyridine 2011.64
    3-pentanone 916.79
    furfural 1783.01
    n-dodecane 186.26
    diethylene glycol 672.91
    diisopropyl ether 665.7
    tert-amyl alcohol 1007.34
    acetylacetone 1329.12
    n-hexadecane 214.14
    acetophenone 1162.05
    methyl propionate 925.84
    isopentyl acetate 1212.39
    trichloroethylene 3048.58
    n-nonanol 725.83
    cyclohexanol 1128.37
    benzyl alcohol 928.67
    2-ethylhexanol 793.35
    isooctanol 650.53
    dipropyl ether 937.59
    1,2-dichlorobenzene 1557.13
    ethyl lactate 469.6
    propylene carbonate 1388.4
    n-methylformamide 714.7
    2-pentanol 805.61
    n-pentane 400.75
    1-propoxy-2-propanol 1023.16
    1-methoxy-2-propyl acetate 1071.45
    2-(2-methoxypropoxy) propanol 815.69
    mesitylene 903.84
    ε-caprolactone 1546.8
    p-cymene 776.39
    epichlorohydrin 1886.57
    1,1,1-trichloroethane 2620.35
    2-aminoethanol 515.11
    morpholine-4-carbaldehyde 1511.97
    sulfolane 1393.86
    2,2,4-trimethylpentane 267.26
    2-methyltetrahydrofuran 1921.49
    n-hexyl acetate 1191.42
    isooctane 239.85
    2-(2-butoxyethoxy)ethanol 945.95
    sec-butyl acetate 783.97
    tert-butyl acetate 1141.96
    decalin 447.37
    glycerin 418.03
    diglyme 1784.55
    acrylic acid 620.12
    isopropyl myristate 654.4
    n-butyric acid 1081.45
    acetyl acetate 1148.89
    di(2-ethylhexyl) phthalate 497.31
    ethyl propionate 866.05
    nitromethane 1285.05
    1,2-diethoxyethane 999.55
    benzonitrile 1483.38
    trioctyl phosphate 417.38
    1-bromopropane 1320.61
    gamma-valerolactone 2101.38
    n-decanol 559.85
    triethyl phosphate 549.52
    4-methyl-2-pentanol 590.64
    propionitrile 1244.28
    vinylene carbonate 1431.64
    1,1,2-trichlorotrifluoroethane 1287.86
    DMS 916.04
    cumene 787.73
    2-octanol 610.66
    2-hexanone 902.73
    octyl acetate 716.33
    limonene 826.44
    1,2-dimethoxyethane 1615.22
    ethyl orthosilicate 569.12
    tributyl phosphate 479.05
    diacetone alcohol 868.55
    N,N-dimethylaniline 984.14
    acrylonitrile 1267.78
    aniline 1302.55
    1,3-propanediol 701.32
    bromobenzene 1955.21
    dibromomethane 2429.09
    1,1,2,2-tetrachloroethane 2701.63
    2-methyl-cyclohexyl acetate 971.21
    tetrabutyl urea 542.21
    diisobutyl methanol 547.57
    2-phenylethanol 1043.52
    styrene 1117.57
    dioctyl adipate 717.01
    dimethyl sulfate 645.7
    ethyl butyrate 1007.51
    methyl lactate 514.03
    butyl lactate 619.08
    diethyl carbonate 800.45
    propanediol butyl ether 727.26
    triethyl orthoformate 836.28
    p-tert-butyltoluene 809.51
    methyl 4-tert-butylbenzoate 1004.57
    morpholine 2189.28
    tert-butylamine 1088.06
    n-dodecanol 447.61
    dimethoxymethane 1075.85
    ethylene carbonate 1308.28
    cyrene 690.68
    2-ethoxyethyl acetate 897.71
    2-ethylhexyl acetate 1036.73
    1,2,4-trichlorobenzene 1717.53
    4-methylpyridine 2035.46
    dibutyl ether 907.2
    2,6-dimethyl-4-heptanol 547.57
    DEF 925.67
    dimethyl isosorbide 1337.5
    tetrachloroethylene 1838.58
    eugenol 865.18
    triacetin 1009.58
    span 80 759.33
    1,4-butanediol 330.03
    1,1-dichloroethane 2284.27
    2-methyl-1-pentanol 628.1
    methyl formate 642.05
    2-methyl-1-butanol 841.99
    n-decane 306.15
    butyronitrile 1241.61
    3,7-dimethyl-1-octanol 756.66
    1-chlorooctane 706.7
    1-chlorotetradecane 332.69
    n-nonane 307.36
    undecane 226.19
    tert-butylcyclohexane 406.5
    cyclooctane 401.7
    cyclopentanol 1197.06
    tetrahydropyran 2208.68
    tert-amyl methyl ether 946.81
    2,5,8-trioxanonane 1127.85
    1-hexene 744.56
    2-isopropoxyethanol 682.09
    2,2,2-trifluoroethanol 483.36
    methyl butyrate 1021.79

    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