1-[(1-{[(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]oxy}propan-2-yl)oxy]propan-2-ol

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  • Identifiers

    CAS number
    243978-04-3

    Molecular formula
    C16H30O3

    SMILES
    CC(COC(C)CO[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.34%
    Amber 41.87%
    Musk 37.32%
    Dry 33.52%
    Sandalwood 33.3%
    Mint 30.69%
    Cedar 30.44%
    Fruity 27.7%
    Odorless 27.67%
    Balsamic 24.35%

     

    Flavor
    Sweet 39.26%
    Herbal 38.73%
    Woody 37.13%
    Fruity 36.35%
    Green 35.64%
    Earthy 30.8%
    Tropical 29.41%
    Mild 26.28%
    Floral 25.69%
    Fruit 24.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.54 (neutral)

    Molecular weight
    270.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 123.37 ˚C est.

  • Synonyms

    • XXONJRZYFPNDGD-PRMSLIBYSA-N
    • DTXSID601019703
    • 1-[(1-{[(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]oxy}propan-2-yl)oxy]propan-2-ol
    • 2-Propanol, 1-[1-methyl-2-[[(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]oxy]ethoxy]-, rel-
    • 243978-04-3
    • 243978-04-3

  • Applications

    1-[(1-{[(1S,2S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl]oxy}propan-2-yl)oxy]propan-2-ol, CAS 243978-04-3, is a bulky diol bearing an isobornyl moiety that is commonly used as a fragrance fixative and solvent in perfumery and cosmetics, aiding stability and solubility of essential oils and aroma compounds; it can serve as a processing aid or plasticizer in polymer and coating formulations to influence flexibility and film properties; it is often evaluated as an intermediate in the synthesis of specialty fragrance ingredients or related organic compounds; it may be employed in household products as a fragrance component or solubilizer; and in coatings and inks it can act as a diol modifier affecting resin compatibility and drying behavior; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 956.6
    methanol 985.14
    isopropanol 954.87
    water 36.0
    ethyl acetate 1616.98
    n-propanol 774.22
    acetone 1406.88
    n-butanol 726.86
    acetonitrile 1048.28
    DMF 1285.59
    toluene 625.01
    isobutanol 641.96
    1,4-dioxane 2261.93
    methyl acetate 1132.72
    THF 2614.07
    2-butanone 883.28
    n-pentanol 400.94
    sec-butanol 640.4
    n-hexane 68.36
    ethylene glycol 286.86
    NMP 596.58
    cyclohexane 243.39
    DMSO 1095.56
    n-butyl acetate 750.15
    n-octanol 293.71
    chloroform 3253.52
    n-propyl acetate 804.04
    acetic acid 1230.5
    dichloromethane 2280.19
    cyclohexanone 1102.27
    propylene glycol 398.6
    isopropyl acetate 1386.89
    DMAc 914.22
    2-ethoxyethanol 1057.31
    isopentanol 689.16
    n-heptane 65.88
    ethyl formate 836.03
    1,2-dichloroethane 1384.75
    n-hexanol 520.43
    2-methoxyethanol 1650.11
    isobutyl acetate 616.44
    tetrachloromethane 783.55
    n-pentyl acetate 493.18
    transcutol 2590.25
    n-heptanol 324.33
    ethylbenzene 378.76
    MIBK 749.79
    2-propoxyethanol 1118.69
    tert-butanol 1235.09
    MTBE 1200.69
    2-butoxyethanol 715.55
    propionic acid 698.99
    o-xylene 447.28
    formic acid 587.58
    diethyl ether 1199.23
    m-xylene 518.01
    p-xylene 538.78
    chlorobenzene 775.77
    dimethyl carbonate 607.19
    n-octane 35.43
    formamide 985.78
    cyclopentanone 1195.97
    2-pentanone 887.59
    anisole 811.77
    cyclopentyl methyl ether 1029.08
    gamma-butyrolactone 1494.48
    1-methoxy-2-propanol 1420.55
    pyridine 1080.05
    3-pentanone 664.87
    furfural 1345.91
    n-dodecane 26.88
    diethylene glycol 888.27
    diisopropyl ether 540.7
    tert-amyl alcohol 766.13
    acetylacetone 1532.51
    n-hexadecane 32.18
    acetophenone 674.7
    methyl propionate 903.69
    isopentyl acetate 767.97
    trichloroethylene 2362.9
    n-nonanol 284.55
    cyclohexanol 699.96
    benzyl alcohol 518.1
    2-ethylhexanol 308.3
    isooctanol 287.28
    dipropyl ether 486.83
    1,2-dichlorobenzene 798.87
    ethyl lactate 434.2
    propylene carbonate 1015.44
    n-methylformamide 827.73
    2-pentanol 599.75
    n-pentane 96.86
    1-propoxy-2-propanol 766.89
    1-methoxy-2-propyl acetate 1049.05
    2-(2-methoxypropoxy) propanol 606.89
    mesitylene 374.36
    ε-caprolactone 1105.04
    p-cymene 237.45
    epichlorohydrin 1784.26
    1,1,1-trichloroethane 1782.25
    2-aminoethanol 581.98
    morpholine-4-carbaldehyde 1268.43
    sulfolane 1163.79
    2,2,4-trimethylpentane 73.68
    2-methyltetrahydrofuran 1388.05
    n-hexyl acetate 621.15
    isooctane 71.94
    2-(2-butoxyethoxy)ethanol 831.57
    sec-butyl acetate 687.85
    tert-butyl acetate 1225.48
    decalin 110.64
    glycerin 577.5
    diglyme 1760.86
    acrylic acid 599.47
    isopropyl myristate 279.31
    n-butyric acid 1101.59
    acetyl acetate 1377.97
    di(2-ethylhexyl) phthalate 234.48
    ethyl propionate 757.84
    nitromethane 2044.26
    1,2-diethoxyethane 927.2
    benzonitrile 659.34
    trioctyl phosphate 189.23
    1-bromopropane 679.06
    gamma-valerolactone 1759.63
    n-decanol 207.05
    triethyl phosphate 325.26
    4-methyl-2-pentanol 461.16
    propionitrile 744.72
    vinylene carbonate 1064.35
    1,1,2-trichlorotrifluoroethane 1299.48
    DMS 671.39
    cumene 292.45
    2-octanol 224.3
    2-hexanone 536.65
    octyl acetate 328.25
    limonene 281.86
    1,2-dimethoxyethane 1701.2
    ethyl orthosilicate 327.5
    tributyl phosphate 235.76
    diacetone alcohol 930.77
    N,N-dimethylaniline 485.12
    acrylonitrile 852.76
    aniline 746.6
    1,3-propanediol 919.18
    bromobenzene 852.07
    dibromomethane 1412.41
    1,1,2,2-tetrachloroethane 2039.55
    2-methyl-cyclohexyl acetate 480.31
    tetrabutyl urea 229.62
    diisobutyl methanol 250.93
    2-phenylethanol 550.21
    styrene 424.81
    dioctyl adipate 367.4
    dimethyl sulfate 736.39
    ethyl butyrate 654.29
    methyl lactate 563.98
    butyl lactate 405.62
    diethyl carbonate 531.08
    propanediol butyl ether 542.2
    triethyl orthoformate 502.57
    p-tert-butyltoluene 250.71
    methyl 4-tert-butylbenzoate 597.94
    morpholine 1958.0
    tert-butylamine 840.92
    n-dodecanol 155.53
    dimethoxymethane 1380.32
    ethylene carbonate 1085.89
    cyrene 469.62
    2-ethoxyethyl acetate 763.79
    2-ethylhexyl acetate 558.01
    1,2,4-trichlorobenzene 858.08
    4-methylpyridine 1041.27
    dibutyl ether 381.73
    2,6-dimethyl-4-heptanol 250.93
    DEF 740.29
    dimethyl isosorbide 923.1
    tetrachloroethylene 1479.36
    eugenol 508.71
    triacetin 785.77
    span 80 472.39
    1,4-butanediol 339.83
    1,1-dichloroethane 1568.12
    2-methyl-1-pentanol 371.54
    methyl formate 772.52
    2-methyl-1-butanol 528.03
    n-decane 52.87
    butyronitrile 750.69
    3,7-dimethyl-1-octanol 320.65
    1-chlorooctane 197.57
    1-chlorotetradecane 78.24
    n-nonane 48.38
    undecane 35.48
    tert-butylcyclohexane 95.36
    cyclooctane 93.56
    cyclopentanol 710.42
    tetrahydropyran 1590.67
    tert-amyl methyl ether 682.8
    2,5,8-trioxanonane 1044.83
    1-hexene 205.25
    2-isopropoxyethanol 730.83
    2,2,2-trifluoroethanol 841.8
    methyl butyrate 857.05

    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