Khusimol

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  • Identifiers

    CAS number
    16223-63-5

    Molecular formula
    C15H24O

    SMILES
    CC1([C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)CO)C

    Retention indicies (RI)

    • DB5: 1736.0

  • Odor profile

    Woody 87.55%
    Sandalwood 51.01%
    Amber 50.68%
    Dry 47.19%
    Cedar 47.04%
    Balsamic 43.95%
    Sweet 41.3%
    Camphoreous 38.61%
    Vetiver 37.08%
    Clean 35.19%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    9.9 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point est.
    132.69 ˚C

  • Synonyms

    • Khusimol
    • 16223-63-5
    • Khusenol
    • Tricyclovetivenol
    • UNII-T4N33ECG0W
    • T4N33ECG0W
    • CHEMBL511334
    • [(1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo[6.2.1.01,5]undecanyl]methanol
    • 1H-3a,6-Methanoazulene-3-methanol, octahydro-7,7-dimethyl-8-methylene-, (3S-(3alpha,3aalpha,6alpha,8aalpha))-
    • 1H-3A,6-METHANOAZULENE-3-METHANOL, OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-, (3S,3AR,6R,8AS)-
    • 1H-3A,6-METHANOAZULENE-3-METHANOL, OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.ALPHA.,8A.ALPHA.))-
    • ((1R,2S,5S,8R)-7,7-dimethyl-6-methylidene-2-tricyclo(6.2.1.01,5)undecanyl)methanol
    • SCHEMBL16982577
    • DTXSID80936671
    • ((3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methanol
    • BDBM50292418
    • AKOS040746956
    • Q27289660

  • Applications

    Khusimol (CAS 16223-63-5) is a major sesquiterpene alcohol of vetiver oil used widely as an odorant and, above all, as a long-lasting fixative for woody-earthy base notes in fine fragrances, candles, air care, soaps, detergents, personal-care products, and functional fragrances for malodor masking; its low volatility, thermal/alkaline stability, and strong compatibility with patchouli, sandalwood, cedarwood, amber, resins, and citrus help lock in scent, deepen chypre/fougère/oriental structures, and improve substantivity on skin, textiles, and porous substrates; in fragrance technology it is microencapsulated or loaded into polymer carriers for controlled release in fabrics, cleaners, and porous materials; in analytics and quality control it serves as a marker for vetiver oil authenticity/origin and as a GC-MS reference standard to monitor adulteration, chemical profiles, and provenance; additionally, khusimol is studied as a contributor to deodorancy and to the insect-repellent activity observed for vetiver oil in certain specialized applications, while practical use in consumer products remains subject to safety assessment, IFRA guidance, and real-world stability/compatibility testing.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 791.37
    methanol 998.58
    isopropanol 829.71
    water 4.87
    ethyl acetate 1181.02
    n-propanol 884.1
    acetone 1642.45
    n-butanol 797.86
    acetonitrile 1255.63
    DMF 1812.3
    toluene 1113.57
    isobutanol 522.72
    1,4-dioxane 2226.93
    methyl acetate 893.54
    THF 4700.88
    2-butanone 1074.93
    n-pentanol 168.4
    sec-butanol 336.36
    n-hexane 17.01
    ethylene glycol 136.12
    NMP 627.66
    cyclohexane 95.35
    DMSO 873.93
    n-butyl acetate 560.47
    n-octanol 94.23
    chloroform 2341.43
    n-propyl acetate 388.26
    acetic acid 459.3
    dichloromethane 1830.69
    cyclohexanone 1364.76
    propylene glycol 145.94
    isopropyl acetate 862.43
    DMAc 566.23
    2-ethoxyethanol 385.95
    isopentanol 559.34
    n-heptane 20.64
    ethyl formate 696.71
    1,2-dichloroethane 1221.65
    n-hexanol 326.56
    2-methoxyethanol 1301.77
    isobutyl acetate 268.91
    tetrachloromethane 448.02
    n-pentyl acetate 304.52
    transcutol 1575.79
    n-heptanol 146.24
    ethylbenzene 229.34
    MIBK 657.1
    2-propoxyethanol 795.13
    tert-butanol 729.14
    MTBE 818.35
    2-butoxyethanol 378.25
    propionic acid 442.66
    o-xylene 375.88
    formic acid 231.02
    diethyl ether 1136.1
    m-xylene 614.66
    p-xylene 272.35
    chlorobenzene 904.89
    dimethyl carbonate 532.61
    n-octane 6.9
    formamide 563.3
    cyclopentanone 2153.2
    2-pentanone 1064.02
    anisole 558.62
    cyclopentyl methyl ether 1248.84
    gamma-butyrolactone 2182.86
    1-methoxy-2-propanol 990.48
    pyridine 1820.39
    3-pentanone 673.33
    furfural 1396.27
    n-dodecane 4.29
    diethylene glycol 510.13
    diisopropyl ether 276.49
    tert-amyl alcohol 310.67
    acetylacetone 1232.33
    n-hexadecane 5.43
    acetophenone 376.26
    methyl propionate 867.93
    isopentyl acetate 519.4
    trichloroethylene 2137.73
    n-nonanol 86.43
    cyclohexanol 506.21
    benzyl alcohol 339.01
    2-ethylhexanol 160.05
    isooctanol 121.5
    dipropyl ether 314.57
    1,2-dichlorobenzene 662.39
    ethyl lactate 176.33
    propylene carbonate 900.05
    n-methylformamide 1346.18
    2-pentanol 354.24
    n-pentane 45.67
    1-propoxy-2-propanol 514.62
    1-methoxy-2-propyl acetate 778.73
    2-(2-methoxypropoxy) propanol 259.2
    mesitylene 318.31
    ε-caprolactone 1028.94
    p-cymene 134.92
    epichlorohydrin 2259.73
    1,1,1-trichloroethane 1222.92
    2-aminoethanol 304.77
    morpholine-4-carbaldehyde 1052.08
    sulfolane 1331.54
    2,2,4-trimethylpentane 19.96
    2-methyltetrahydrofuran 1628.59
    n-hexyl acetate 324.86
    isooctane 27.47
    2-(2-butoxyethoxy)ethanol 391.29
    sec-butyl acetate 284.18
    tert-butyl acetate 792.66
    decalin 28.12
    glycerin 243.92
    diglyme 1023.75
    acrylic acid 386.21
    isopropyl myristate 105.2
    n-butyric acid 864.87
    acetyl acetate 686.59
    di(2-ethylhexyl) phthalate 113.37
    ethyl propionate 390.71
    nitromethane 1415.04
    1,2-diethoxyethane 585.37
    benzonitrile 719.33
    trioctyl phosphate 82.32
    1-bromopropane 652.53
    gamma-valerolactone 2271.81
    n-decanol 56.72
    triethyl phosphate 149.5
    4-methyl-2-pentanol 237.69
    propionitrile 1184.29
    vinylene carbonate 954.22
    1,1,2-trichlorotrifluoroethane 772.27
    DMS 395.57
    cumene 130.5
    2-octanol 77.13
    2-hexanone 304.52
    octyl acetate 124.49
    limonene 154.9
    1,2-dimethoxyethane 933.26
    ethyl orthosilicate 146.56
    tributyl phosphate 106.99
    diacetone alcohol 596.06
    N,N-dimethylaniline 258.63
    acrylonitrile 1258.72
    aniline 969.99
    1,3-propanediol 688.56
    bromobenzene 955.09
    dibromomethane 1156.0
    1,1,2,2-tetrachloroethane 1363.95
    2-methyl-cyclohexyl acetate 220.12
    tetrabutyl urea 113.07
    diisobutyl methanol 132.9
    2-phenylethanol 414.49
    styrene 299.98
    dioctyl adipate 144.78
    dimethyl sulfate 555.49
    ethyl butyrate 352.62
    methyl lactate 344.08
    butyl lactate 240.72
    diethyl carbonate 235.56
    propanediol butyl ether 260.85
    triethyl orthoformate 256.25
    p-tert-butyltoluene 148.77
    methyl 4-tert-butylbenzoate 318.77
    morpholine 2147.17
    tert-butylamine 432.45
    n-dodecanol 39.21
    dimethoxymethane 1819.02
    ethylene carbonate 892.64
    cyrene 250.26
    2-ethoxyethyl acetate 550.41
    2-ethylhexyl acetate 348.6
    1,2,4-trichlorobenzene 690.69
    4-methylpyridine 1633.79
    dibutyl ether 153.05
    2,6-dimethyl-4-heptanol 132.9
    DEF 704.37
    dimethyl isosorbide 594.42
    tetrachloroethylene 914.98
    eugenol 296.22
    triacetin 333.15
    span 80 204.72
    1,4-butanediol 107.9
    1,1-dichloroethane 1331.56
    2-methyl-1-pentanol 142.2
    methyl formate 1021.65
    2-methyl-1-butanol 378.63
    n-decane 9.55
    butyronitrile 1019.95
    3,7-dimethyl-1-octanol 119.73
    1-chlorooctane 69.69
    1-chlorotetradecane 19.33
    n-nonane 8.53
    undecane 6.1
    tert-butylcyclohexane 25.58
    cyclooctane 29.95
    cyclopentanol 592.55
    tetrahydropyran 2101.58
    tert-amyl methyl ether 336.99
    2,5,8-trioxanonane 486.97
    1-hexene 88.28
    2-isopropoxyethanol 244.07
    2,2,2-trifluoroethanol 290.23
    methyl butyrate 445.93

    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
Vetiver 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 1.0%
Eugenia nitida (Brazil) Eugenia nitida Camb., fam. Myrtaceae 0.3%
Santolina insularis (Italy) 1a CO2-extract Santolina insularis L., fam. Asteraceae (Compositae) 2.6%
Santolina insularis (Italy) 1b hydrodistilled Santolina insularis L., fam. Asteraceae (Compositae) 1.5%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 14.0%
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.01%