I(2)-Panasinsene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    56684-97-0

    Molecular formula
    C15H24

    SMILES
    C[C@]12CCCC(=C)[C@]13CC([C@@H]3CC2)(C)C

  • Odor profile

    Woody 85.51%
    Dry 51.51%
    Amber 50.49%
    Sweet 40.45%
    Cedar 39.91%
    Musk 34.53%
    Spicy 30.5%
    Vetiver 30.05%
    Sandalwood 28.57%
    Camphoreous 28.09%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    266°C

    Flash point est.
    96.02 ˚C

  • Synonyms

    • 56684-97-0
    • I(2)-Panasinsene
    • DTXSID501317568
    • DB-234745
    • (2As,4ar,8ar)-2,2,4a-trimethyl-8-methylenedecahydrocyclobuta[c]indene

  • Applications

    I(2)-Panasinsene (CAS 56684-97-0) is a volatile natural sesquiterpene used primarily in research and analytics: as a reference standard/marker in GC-MS/GCxGC for qualitative and quantitative profiling and authentication of essential oils, botanicals (notably Panax) and flavor-fragrance products; as a stereochemically defined control for chiral GC and for probing sesquiterpene synthase selectivity and biosynthetic pathways; as a scaffold for derivative optimization in early-stage biological screening (anti-inflammatory, antioxidant, antimicrobial, insect-repellent) and in silico docking/QSAR; as a minor aroma component in fragrance R&D with encapsulation/emulsion systems to improve stability and controlled release; and as a chemical-ecology signal/biomarker supporting traceability and quality control, subject to safety and regulatory review for applied uses.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.53
    methanol 126.38
    isopropanol 267.24
    water 0.73
    ethyl acetate 484.49
    n-propanol 243.02
    acetone 581.05
    n-butanol 271.48
    acetonitrile 335.67
    DMF 697.85
    toluene 656.88
    isobutanol 230.64
    1,4-dioxane 861.65
    methyl acetate 411.84
    THF 1879.21
    2-butanone 509.68
    n-pentanol 139.73
    sec-butanol 202.05
    n-hexane 80.22
    ethylene glycol 39.72
    NMP 501.58
    cyclohexane 177.01
    DMSO 286.01
    n-butyl acetate 534.16
    n-octanol 213.02
    chloroform 979.75
    n-propyl acetate 291.53
    acetic acid 119.48
    dichloromethane 752.6
    cyclohexanone 862.43
    propylene glycol 71.26
    isopropyl acetate 454.14
    DMAc 437.56
    2-ethoxyethanol 180.51
    isopentanol 248.18
    n-heptane 130.57
    ethyl formate 281.77
    1,2-dichloroethane 497.8
    n-hexanol 346.94
    2-methoxyethanol 331.01
    isobutyl acetate 284.06
    tetrachloromethane 264.0
    n-pentyl acetate 335.41
    transcutol 479.99
    n-heptanol 208.15
    ethylbenzene 301.41
    MIBK 429.98
    2-propoxyethanol 484.12
    tert-butanol 332.74
    MTBE 460.73
    2-butoxyethanol 289.1
    propionic acid 161.64
    o-xylene 382.63
    formic acid 28.09
    diethyl ether 453.98
    m-xylene 497.1
    p-xylene 383.81
    chlorobenzene 522.9
    dimethyl carbonate 266.15
    n-octane 59.1
    formamide 65.99
    cyclopentanone 1159.91
    2-pentanone 524.19
    anisole 449.42
    cyclopentyl methyl ether 764.17
    gamma-butyrolactone 990.14
    1-methoxy-2-propanol 365.41
    pyridine 713.36
    3-pentanone 403.94
    furfural 628.84
    n-dodecane 44.27
    diethylene glycol 240.72
    diisopropyl ether 256.39
    tert-amyl alcohol 222.82
    acetylacetone 657.99
    n-hexadecane 53.17
    acetophenone 365.95
    methyl propionate 398.49
    isopentyl acetate 545.25
    trichloroethylene 850.3
    n-nonanol 197.27
    cyclohexanol 315.73
    benzyl alcohol 255.34
    2-ethylhexanol 250.16
    isooctanol 179.47
    dipropyl ether 429.76
    1,2-dichlorobenzene 476.57
    ethyl lactate 155.51
    propylene carbonate 517.9
    n-methylformamide 249.78
    2-pentanol 210.6
    n-pentane 99.06
    1-propoxy-2-propanol 419.14
    1-methoxy-2-propyl acetate 579.34
    2-(2-methoxypropoxy) propanol 264.92
    mesitylene 357.56
    ε-caprolactone 627.95
    p-cymene 270.7
    epichlorohydrin 852.25
    1,1,1-trichloroethane 621.44
    2-aminoethanol 87.75
    morpholine-4-carbaldehyde 628.4
    sulfolane 742.53
    2,2,4-trimethylpentane 57.74
    2-methyltetrahydrofuran 873.4
    n-hexyl acetate 444.75
    isooctane 73.94
    2-(2-butoxyethoxy)ethanol 313.52
    sec-butyl acetate 254.41
    tert-butyl acetate 510.29
    decalin 96.3
    glycerin 89.55
    diglyme 596.71
    acrylic acid 134.73
    isopropyl myristate 233.63
    n-butyric acid 303.65
    acetyl acetate 365.16
    di(2-ethylhexyl) phthalate 175.56
    ethyl propionate 309.1
    nitromethane 316.74
    1,2-diethoxyethane 372.67
    benzonitrile 447.72
    trioctyl phosphate 155.47
    1-bromopropane 425.85
    gamma-valerolactone 1015.95
    n-decanol 151.54
    triethyl phosphate 196.54
    4-methyl-2-pentanol 182.92
    propionitrile 392.66
    vinylene carbonate 488.62
    1,1,2-trichlorotrifluoroethane 352.99
    DMS 375.64
    cumene 218.51
    2-octanol 159.64
    2-hexanone 313.66
    octyl acetate 248.85
    limonene 321.07
    1,2-dimethoxyethane 513.99
    ethyl orthosilicate 188.15
    tributyl phosphate 176.54
    diacetone alcohol 388.32
    N,N-dimethylaniline 307.11
    acrylonitrile 405.01
    aniline 388.41
    1,3-propanediol 165.01
    bromobenzene 628.28
    dibromomethane 557.25
    1,1,2,2-tetrachloroethane 616.69
    2-methyl-cyclohexyl acetate 339.03
    tetrabutyl urea 214.36
    diisobutyl methanol 203.72
    2-phenylethanol 383.55
    styrene 333.41
    dioctyl adipate 250.4
    dimethyl sulfate 309.86
    ethyl butyrate 405.06
    methyl lactate 186.23
    butyl lactate 232.58
    diethyl carbonate 265.64
    propanediol butyl ether 217.88
    triethyl orthoformate 292.37
    p-tert-butyltoluene 298.36
    methyl 4-tert-butylbenzoate 382.44
    morpholine 729.67
    tert-butylamine 261.98
    n-dodecanol 120.44
    dimethoxymethane 648.72
    ethylene carbonate 433.78
    cyrene 250.68
    2-ethoxyethyl acetate 392.93
    2-ethylhexyl acetate 437.04
    1,2,4-trichlorobenzene 481.66
    4-methylpyridine 751.57
    dibutyl ether 291.62
    2,6-dimethyl-4-heptanol 203.72
    DEF 423.66
    dimethyl isosorbide 572.17
    tetrachloroethylene 429.21
    eugenol 294.97
    triacetin 341.66
    span 80 249.95
    1,4-butanediol 69.56
    1,1-dichloroethane 555.86
    2-methyl-1-pentanol 135.7
    methyl formate 251.61
    2-methyl-1-butanol 204.11
    n-decane 77.44
    butyronitrile 440.56
    3,7-dimethyl-1-octanol 220.59
    1-chlorooctane 209.77
    1-chlorotetradecane 95.07
    n-nonane 73.9
    undecane 57.42
    tert-butylcyclohexane 94.2
    cyclooctane 98.97
    cyclopentanol 367.0
    tetrahydropyran 876.36
    tert-amyl methyl ether 307.98
    2,5,8-trioxanonane 392.76
    1-hexene 188.64
    2-isopropoxyethanol 174.73
    2,2,2-trifluoroethanol 83.63
    methyl butyrate 358.59

    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

Botanical

Name CAS Botanical Proportion
Ginseng Panax ginseng C.A. Meyer (P. quinquefolium L.), fam. Araliaceae 8.0%