Spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane], 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)-

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  • Identifiers

    CAS number
    188199-50-0

    Molecular formula
    C16H28O2

    SMILES
    CC(C)[C@H]1OCC[C@@]2(O1)C[C@H]3CC[C@@]2(C3(C)C)C

    Safety labels

    Corrosive
    Corrosive

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 85.16%
    Amber 55.69%
    Dry 50.86%
    Cedar 47.74%
    Herbal 46.85%
    Spicy 46.38%
    Green 44.07%
    Camphoreous 43.3%
    Pine 42.14%
    Earthy 40.52%

     

    Flavor
    Green 65.56%
    Earthy 50.32%
    Herbal 49.37%
    Woody 46.26%
    Camphor 44.3%
    Earth 42.38%
    Pine 37.94%
    Minty 33.63%
    Pepper 33.2%
    Spicy 32.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.07 (neutral)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    309°C

    Flash point

    • 100.58 ˚C est.

  • Synonyms

    • 188199-50-0
    • DTXSID30889087
    • Spiro(bicyclo(2.2.1)heptane-2,4'-(1,3)dioxane), 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)-
    • Spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane], 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)-
    • RefChem:888817
    • DTXCID601028356
    • 689-285-6
    • SCHEMBL313666
    • FIGQXHMXVPBTDV-OCVGTWLNSA-N
    • (1R,2S,2'S,4R)-1,7,7-Trimethyl-2'-(propan-2-yl)spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane]
    • 188199-50-0

  • Applications

    Chemical: Spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane], 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)- (CAS 188199-50-0) is a chiral spiro-bicyclic compound with potential as an intermediate in organic synthesis and may function as a fragrance ingredient or odorant in perfumery and cosmetic formulations; it is also evaluated as a functional additive for polymer systems and coatings/inks, and may serve as a scaffold for pharmaceutical or agrochemical development in industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 598.76
    methanol 572.37
    isopropanol 630.63
    water 32.15
    ethyl acetate 1175.96
    n-propanol 601.38
    acetone 1057.12
    n-butanol 599.59
    acetonitrile 868.54
    DMF 1209.34
    toluene 1220.96
    isobutanol 573.83
    1,4-dioxane 1935.29
    methyl acetate 922.02
    THF 2163.69
    2-butanone 862.63
    n-pentanol 370.11
    sec-butanol 485.07
    n-hexane 109.42
    ethylene glycol 138.64
    NMP 876.63
    cyclohexane 354.08
    DMSO 571.14
    n-butyl acetate 752.95
    n-octanol 343.98
    chloroform 3697.3
    n-propyl acetate 695.76
    acetic acid 728.02
    dichloromethane 2405.86
    cyclohexanone 1398.72
    propylene glycol 176.35
    isopropyl acetate 1062.14
    DMAc 1007.63
    2-ethoxyethanol 607.57
    isopentanol 624.01
    n-heptane 91.34
    ethyl formate 725.38
    1,2-dichloroethane 1302.72
    n-hexanol 502.84
    2-methoxyethanol 916.99
    isobutyl acetate 600.91
    tetrachloromethane 1037.52
    n-pentyl acetate 600.13
    transcutol 1321.03
    n-heptanol 393.41
    ethylbenzene 697.72
    MIBK 734.55
    2-propoxyethanol 824.03
    tert-butanol 675.62
    MTBE 850.93
    2-butoxyethanol 631.29
    propionic acid 535.36
    o-xylene 810.09
    formic acid 291.02
    diethyl ether 882.68
    m-xylene 957.28
    p-xylene 1061.45
    chlorobenzene 1265.4
    dimethyl carbonate 555.29
    n-octane 51.16
    formamide 503.32
    cyclopentanone 1421.92
    2-pentanone 837.72
    anisole 948.17
    cyclopentyl methyl ether 1058.4
    gamma-butyrolactone 1566.36
    1-methoxy-2-propanol 808.7
    pyridine 1509.8
    3-pentanone 705.68
    furfural 1481.29
    n-dodecane 41.84
    diethylene glycol 529.37
    diisopropyl ether 484.54
    tert-amyl alcohol 488.7
    acetylacetone 1287.07
    n-hexadecane 50.83
    acetophenone 853.66
    methyl propionate 799.9
    isopentyl acetate 819.44
    trichloroethylene 2545.26
    n-nonanol 330.62
    cyclohexanol 689.29
    benzyl alcohol 652.86
    2-ethylhexanol 359.47
    isooctanol 350.67
    dipropyl ether 456.94
    1,2-dichlorobenzene 1195.98
    ethyl lactate 331.08
    propylene carbonate 1121.95
    n-methylformamide 655.43
    2-pentanol 462.54
    n-pentane 146.13
    1-propoxy-2-propanol 589.41
    1-methoxy-2-propyl acetate 847.93
    2-(2-methoxypropoxy) propanol 496.36
    mesitylene 666.23
    ε-caprolactone 1276.86
    p-cymene 380.87
    epichlorohydrin 1604.82
    1,1,1-trichloroethane 1934.17
    2-aminoethanol 312.47
    morpholine-4-carbaldehyde 1281.8
    sulfolane 1168.51
    2,2,4-trimethylpentane 107.75
    2-methyltetrahydrofuran 1321.17
    n-hexyl acetate 746.43
    isooctane 99.87
    2-(2-butoxyethoxy)ethanol 610.27
    sec-butyl acetate 622.96
    tert-butyl acetate 948.2
    decalin 188.32
    glycerin 274.91
    diglyme 1285.69
    acrylic acid 479.84
    isopropyl myristate 336.0
    n-butyric acid 883.92
    acetyl acetate 1184.08
    di(2-ethylhexyl) phthalate 293.93
    ethyl propionate 677.89
    nitromethane 1298.21
    1,2-diethoxyethane 669.83
    benzonitrile 1027.06
    trioctyl phosphate 226.39
    1-bromopropane 795.41
    gamma-valerolactone 1876.0
    n-decanol 232.32
    triethyl phosphate 331.12
    4-methyl-2-pentanol 386.8
    propionitrile 789.14
    vinylene carbonate 1213.55
    1,1,2-trichlorotrifluoroethane 978.8
    DMS 726.17
    cumene 506.29
    2-octanol 281.5
    2-hexanone 574.66
    octyl acetate 385.29
    limonene 402.01
    1,2-dimethoxyethane 1250.86
    ethyl orthosilicate 338.86
    tributyl phosphate 266.92
    diacetone alcohol 646.19
    N,N-dimethylaniline 642.46
    acrylonitrile 897.35
    aniline 963.48
    1,3-propanediol 524.46
    bromobenzene 1475.86
    dibromomethane 1551.66
    1,1,2,2-tetrachloroethane 2073.1
    2-methyl-cyclohexyl acetate 532.16
    tetrabutyl urea 279.89
    diisobutyl methanol 277.99
    2-phenylethanol 672.39
    styrene 766.29
    dioctyl adipate 397.27
    dimethyl sulfate 656.7
    ethyl butyrate 634.25
    methyl lactate 402.39
    butyl lactate 411.47
    diethyl carbonate 499.04
    propanediol butyl ether 436.3
    triethyl orthoformate 494.72
    p-tert-butyltoluene 383.12
    methyl 4-tert-butylbenzoate 675.63
    morpholine 1620.92
    tert-butylamine 546.21
    n-dodecanol 173.78
    dimethoxymethane 1109.46
    ethylene carbonate 1131.11
    cyrene 491.39
    2-ethoxyethyl acetate 768.55
    2-ethylhexyl acetate 679.85
    1,2,4-trichlorobenzene 1274.86
    4-methylpyridine 1570.12
    dibutyl ether 396.2
    2,6-dimethyl-4-heptanol 277.99
    DEF 805.83
    dimethyl isosorbide 877.97
    tetrachloroethylene 1573.47
    eugenol 587.87
    triacetin 709.17
    span 80 433.85
    1,4-butanediol 211.23
    1,1-dichloroethane 1578.41
    2-methyl-1-pentanol 395.95
    methyl formate 614.25
    2-methyl-1-butanol 524.41
    n-decane 76.84
    butyronitrile 819.65
    3,7-dimethyl-1-octanol 355.61
    1-chlorooctane 270.98
    1-chlorotetradecane 117.79
    n-nonane 69.33
    undecane 54.09
    tert-butylcyclohexane 156.44
    cyclooctane 155.97
    cyclopentanol 692.54
    tetrahydropyran 1526.89
    tert-amyl methyl ether 551.08
    2,5,8-trioxanonane 756.6
    1-hexene 291.46
    2-isopropoxyethanol 470.82
    2,2,2-trifluoroethanol 513.59
    methyl butyrate 786.03

    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