Panasinsanol B

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  • Identifiers

    CAS number
    109785-99-1

    Molecular formula
    C15H26O

    SMILES
    C[C@]12CCCC(C13CC([C@@H]3CC2)(C)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.6%
    Amber 64.41%
    Dry 56.85%
    Musk 52.4%
    Cedar 48.82%
    Earthy 42.73%
    Sandalwood 37.75%
    Vetiver 36.63%
    Powdery 35.58%
    Sweet 35.28%

     

    Flavor
    Sweet 63.67%
    Woody 61.07%
    Camphor 52.14%
    Dry 45.88%
    Earthy 45.57%
    Pine 44.19%
    Herbal 37.45%
    Balsam 33.37%
    Earth 32.65%
    Fresh 31.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.48 (weak base)

    Molecular weight
    222.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    302°C

    Flash point

    • 126.99 ˚C est.

  • Synonyms

    • Panasinsanol B
    • 109785-99-1
    • (2aS,4aR)-2,2,4a,8-tetramethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-ol
    • DTXSID60911345
    • 2,2,4a,8-Tetramethyldecahydrocyclobuta[c]inden-8-ol
    • (2aS,4aR)-2,2,4a,8-tetramethyldecahydrocyclobuta[c]inden-8-ol
    • Cyclobut(c)inden-8-ol, decahydro-2,2,4a,8-tetramethyl-, (2aS-(2aalpha,4abeta,8beta,8aR*))-
    • 109785-99-1

  • Applications

    Panasinsanol B (CAS 109785-99-1) is primarily discussed as a natural-product–derived intermediate for use in organic synthesis. It may be employed as a chiral building block or starting material for derivative chemistry in pharmaceutical and agrochemical research; it has been explored as an odorant candidate for fragrance formulations and as a fragrance component in limited cosmetic applications; it has also seen exploratory use in specialty coatings, inks, and polymer-related research as a functional intermediate for materials development. Its use is subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.92
    methanol 293.53
    isopropanol 357.44
    water 2.87
    ethyl acetate 356.46
    n-propanol 304.84
    acetone 547.08
    n-butanol 290.53
    acetonitrile 393.37
    DMF 742.15
    toluene 382.84
    isobutanol 251.21
    1,4-dioxane 804.37
    methyl acetate 332.32
    THF 1738.51
    2-butanone 418.7
    n-pentanol 158.08
    sec-butanol 225.97
    n-hexane 44.81
    ethylene glycol 80.62
    NMP 412.42
    cyclohexane 99.09
    DMSO 370.14
    n-butyl acetate 312.32
    n-octanol 183.4
    chloroform 885.96
    n-propyl acetate 209.91
    acetic acid 140.73
    dichloromethane 625.59
    cyclohexanone 634.72
    propylene glycol 119.78
    isopropyl acetate 309.12
    DMAc 353.39
    2-ethoxyethanol 201.34
    isopentanol 239.65
    n-heptane 58.85
    ethyl formate 245.45
    1,2-dichloroethane 391.43
    n-hexanol 318.87
    2-methoxyethanol 416.95
    isobutyl acetate 197.63
    tetrachloromethane 202.12
    n-pentyl acetate 241.24
    transcutol 342.28
    n-heptanol 183.68
    ethylbenzene 187.61
    MIBK 321.72
    2-propoxyethanol 475.64
    tert-butanol 367.22
    MTBE 366.17
    2-butoxyethanol 270.55
    propionic acid 173.97
    o-xylene 234.53
    formic acid 57.52
    diethyl ether 397.26
    m-xylene 309.64
    p-xylene 246.27
    chlorobenzene 327.52
    dimethyl carbonate 210.27
    n-octane 30.98
    formamide 116.43
    cyclopentanone 958.22
    2-pentanone 406.08
    anisole 299.6
    cyclopentyl methyl ether 550.24
    gamma-butyrolactone 830.38
    1-methoxy-2-propanol 428.3
    pyridine 520.22
    3-pentanone 284.23
    furfural 504.32
    n-dodecane 25.04
    diethylene glycol 296.22
    diisopropyl ether 172.52
    tert-amyl alcohol 212.68
    acetylacetone 433.28
    n-hexadecane 29.44
    acetophenone 239.79
    methyl propionate 302.71
    isopentyl acetate 301.44
    trichloroethylene 621.59
    n-nonanol 165.58
    cyclohexanol 290.22
    benzyl alcohol 195.85
    2-ethylhexanol 180.3
    isooctanol 147.52
    dipropyl ether 259.05
    1,2-dichlorobenzene 279.02
    ethyl lactate 135.71
    propylene carbonate 400.62
    n-methylformamide 341.68
    2-pentanol 216.95
    n-pentane 65.27
    1-propoxy-2-propanol 352.35
    1-methoxy-2-propyl acetate 367.08
    2-(2-methoxypropoxy) propanol 205.06
    mesitylene 220.34
    ε-caprolactone 451.01
    p-cymene 150.75
    epichlorohydrin 730.86
    1,1,1-trichloroethane 446.12
    2-aminoethanol 150.77
    morpholine-4-carbaldehyde 519.7
    sulfolane 626.99
    2,2,4-trimethylpentane 34.72
    2-methyltetrahydrofuran 688.85
    n-hexyl acetate 323.4
    isooctane 44.52
    2-(2-butoxyethoxy)ethanol 255.78
    sec-butyl acetate 177.2
    tert-butyl acetate 334.73
    decalin 52.15
    glycerin 151.89
    diglyme 487.31
    acrylic acid 149.86
    isopropyl myristate 142.82
    n-butyric acid 261.99
    acetyl acetate 246.6
    di(2-ethylhexyl) phthalate 120.58
    ethyl propionate 219.2
    nitromethane 389.28
    1,2-diethoxyethane 248.75
    benzonitrile 312.67
    trioctyl phosphate 110.98
    1-bromopropane 307.9
    gamma-valerolactone 865.96
    n-decanol 125.46
    triethyl phosphate 116.29
    4-methyl-2-pentanol 169.92
    propionitrile 399.82
    vinylene carbonate 391.32
    1,1,2-trichlorotrifluoroethane 325.45
    DMS 250.09
    cumene 141.35
    2-octanol 139.41
    2-hexanone 234.71
    octyl acetate 168.98
    limonene 177.4
    1,2-dimethoxyethane 448.19
    ethyl orthosilicate 111.15
    tributyl phosphate 109.63
    diacetone alcohol 304.98
    N,N-dimethylaniline 203.32
    acrylonitrile 422.41
    aniline 282.68
    1,3-propanediol 231.21
    bromobenzene 367.98
    dibromomethane 440.45
    1,1,2,2-tetrachloroethane 515.29
    2-methyl-cyclohexyl acetate 201.72
    tetrabutyl urea 140.2
    diisobutyl methanol 136.16
    2-phenylethanol 267.47
    styrene 196.89
    dioctyl adipate 154.69
    dimethyl sulfate 264.7
    ethyl butyrate 219.79
    methyl lactate 182.93
    butyl lactate 182.06
    diethyl carbonate 148.59
    propanediol butyl ether 206.46
    triethyl orthoformate 170.67
    p-tert-butyltoluene 163.61
    methyl 4-tert-butylbenzoate 265.9
    morpholine 724.03
    tert-butylamine 261.82
    n-dodecanol 96.61
    dimethoxymethane 653.72
    ethylene carbonate 346.81
    cyrene 194.54
    2-ethoxyethyl acetate 283.59
    2-ethylhexyl acetate 239.23
    1,2,4-trichlorobenzene 293.34
    4-methylpyridine 516.5
    dibutyl ether 181.76
    2,6-dimethyl-4-heptanol 136.16
    DEF 305.09
    dimethyl isosorbide 372.06
    tetrachloroethylene 353.9
    eugenol 224.73
    triacetin 231.14
    span 80 189.07
    1,4-butanediol 92.02
    1,1-dichloroethane 443.38
    2-methyl-1-pentanol 127.62
    methyl formate 312.02
    2-methyl-1-butanol 197.21
    n-decane 46.24
    butyronitrile 409.34
    3,7-dimethyl-1-octanol 158.85
    1-chlorooctane 137.77
    1-chlorotetradecane 55.83
    n-nonane 42.85
    undecane 33.12
    tert-butylcyclohexane 51.71
    cyclooctane 46.1
    cyclopentanol 364.81
    tetrahydropyran 740.81
    tert-amyl methyl ether 227.41
    2,5,8-trioxanonane 297.72
    1-hexene 129.43
    2-isopropoxyethanol 173.74
    2,2,2-trifluoroethanol 104.68
    methyl butyrate 249.78

    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