beta-Vetivone

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  • Identifiers

    CAS number
    18444-79-6

    Molecular formula
    C15H22O

    SMILES
    C[C@@H]1CC(=O)C=C([C@@]12CCC(=C(C)C)C2)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1809.0

  • Odor profile

    Woody 78.01%
    Sweet 53.14%
    Dry 44.29%
    Tobacco 43.84%
    Spicy 43.3%
    Orris 37.87%
    Powdery 37.6%
    Amber 36.69%
    Fruity 36.34%
    Cedar 35.64%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point est.
    113.57 ˚C

  • Synonyms

    • beta-Vetivone
    • .beta.-Vetivone
    • 18444-79-6
    • V86K3R7R4P
    • .BETA.-VETIVONE [MI]
    • DTXSID70885043
    • C09745
    • (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro[4.5]dec-9-en-8-one
    • Spiro[4.5]dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-
    • (5R,6R)-3-isopropylidene-6,10-dimethyl-spiro[4.5]dec-9-en-8-one
    • 2-ISOPROPYLIDENE-6,10-DIMETHYLSPIRO(4.5)DEC-6-EN-.BETA.-ONE
    • (5R-CIS)-6,10-DIMETHYL-2-(1-METHYLETHYLIDENE)SPIRO(4.5)DEC-6-EN-.BETA.-ONE
    • Spiro(4.5)dec-6-en-8-one, 6,10-dimethyl-2-(1-methylethylidene)-, (5R,10R)-
    • AC1L9CRB
    • UNII-V86K3R7R4P
    • (5R,6R)-3-isopropylidene-6,10-dimethyl-spiro(4.5)dec-9-en-8-one
    • (5R,6R)-6,10-dimethyl-3-propan-2-ylidenespiro(4.5)dec-9-en-8-one
    • SureCN1544899
    • SCHEMBL1544899
    • CHEBI:10448
    • DTXCID001024451
    • Q27108643
    • 2-ISOPROPYLIDENE-6,10-DIMETHYLSPIRO(4.5)DEC-6-EN-BETA-ONE
    • (5R-CIS)-6,10-DIMETHYL-2-(1-METHYLETHYLIDENE)SPIRO(4.5)DEC-6-EN-BETA-ONE
    • 881-471-7

  • Applications

    beta-Vetivone (CAS 18444-79-6) is a signature sesquiterpene ketone of vetiver oil, widely applied in perfumery to build and fix deep woody–earthy, smoky, slightly leathery facets; its low volatility and high tenacity make it an effective fixative in fine fragrances (woody, chypre, fougère, oriental), personal care (soaps, shampoos, body washes, creams, aftershaves), home care (cleaners, air care, candles), and fabric care; it is also useful in fragrance microencapsulation for laundry to enhance long-lastingness on textiles, and serves as a GC/MS reference standard for quality control and authentication of vetiver oil by sesquiterpene profiling; in R&D, beta‑vetivone is a scaffold for creating modern woody odorants or modulating nuances via ketone transformations, and has been investigated for insect behavioral effects/repellency in pest-management studies; its use typically follows IFRA guidance and cosmetic regulations, with low dosage due to strong odor impact and persistence.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 235.29
    methanol 233.34
    isopropanol 211.36
    water 0.48
    ethyl acetate 304.5
    n-propanol 225.73
    acetone 272.53
    n-butanol 232.77
    acetonitrile 284.45
    DMF 331.18
    toluene 552.31
    isobutanol 159.12
    1,4-dioxane 881.79
    methyl acetate 270.52
    THF 963.69
    2-butanone 291.16
    n-pentanol 114.67
    sec-butanol 136.05
    n-hexane 17.36
    ethylene glycol 19.14
    NMP 243.1
    cyclohexane 70.76
    DMSO 105.06
    n-butyl acetate 263.06
    n-octanol 73.91
    chloroform 1030.18
    n-propyl acetate 154.91
    acetic acid 101.91
    dichloromethane 690.61
    cyclohexanone 463.78
    propylene glycol 41.65
    isopropyl acetate 213.5
    DMAc 254.12
    2-ethoxyethanol 130.69
    isopentanol 184.23
    n-heptane 20.53
    ethyl formate 165.98
    1,2-dichloroethane 334.82
    n-hexanol 218.82
    2-methoxyethanol 261.1
    isobutyl acetate 134.4
    tetrachloromethane 137.74
    n-pentyl acetate 142.35
    transcutol 590.24
    n-heptanol 89.92
    ethylbenzene 183.29
    MIBK 185.89
    2-propoxyethanol 307.47
    tert-butanol 238.39
    MTBE 230.76
    2-butoxyethanol 157.04
    propionic acid 104.11
    o-xylene 237.03
    formic acid 33.39
    diethyl ether 260.86
    m-xylene 310.93
    p-xylene 239.81
    chlorobenzene 380.05
    dimethyl carbonate 94.47
    n-octane 9.04
    formamide 72.99
    cyclopentanone 462.85
    2-pentanone 241.95
    anisole 311.77
    cyclopentyl methyl ether 311.22
    gamma-butyrolactone 404.18
    1-methoxy-2-propanol 238.44
    pyridine 646.99
    3-pentanone 189.62
    furfural 371.61
    n-dodecane 8.47
    diethylene glycol 151.46
    diisopropyl ether 91.93
    tert-amyl alcohol 132.87
    acetylacetone 262.11
    n-hexadecane 10.23
    acetophenone 239.52
    methyl propionate 201.3
    isopentyl acetate 255.6
    trichloroethylene 679.37
    n-nonanol 75.91
    cyclohexanol 203.16
    benzyl alcohol 208.26
    2-ethylhexanol 126.02
    isooctanol 74.95
    dipropyl ether 147.75
    1,2-dichlorobenzene 287.5
    ethyl lactate 68.54
    propylene carbonate 251.63
    n-methylformamide 156.64
    2-pentanol 129.1
    n-pentane 24.1
    1-propoxy-2-propanol 231.54
    1-methoxy-2-propyl acetate 296.81
    2-(2-methoxypropoxy) propanol 179.78
    mesitylene 167.69
    ε-caprolactone 363.01
    p-cymene 110.7
    epichlorohydrin 512.63
    1,1,1-trichloroethane 415.69
    2-aminoethanol 69.95
    morpholine-4-carbaldehyde 391.61
    sulfolane 240.66
    2,2,4-trimethylpentane 14.78
    2-methyltetrahydrofuran 522.95
    n-hexyl acetate 186.32
    isooctane 16.56
    2-(2-butoxyethoxy)ethanol 223.81
    sec-butyl acetate 141.71
    tert-butyl acetate 215.65
    decalin 32.64
    glycerin 52.36
    diglyme 399.78
    acrylic acid 78.69
    isopropyl myristate 88.55
    n-butyric acid 210.87
    acetyl acetate 191.32
    di(2-ethylhexyl) phthalate 93.67
    ethyl propionate 149.27
    nitromethane 210.48
    1,2-diethoxyethane 264.71
    benzonitrile 326.02
    trioctyl phosphate 58.6
    1-bromopropane 249.39
    gamma-valerolactone 589.35
    n-decanol 58.62
    triethyl phosphate 86.32
    4-methyl-2-pentanol 96.42
    propionitrile 291.53
    vinylene carbonate 257.42
    1,1,2-trichlorotrifluoroethane 204.79
    DMS 173.78
    cumene 114.44
    2-octanol 59.53
    2-hexanone 158.33
    octyl acetate 105.69
    limonene 126.19
    1,2-dimethoxyethane 338.27
    ethyl orthosilicate 87.8
    tributyl phosphate 70.7
    diacetone alcohol 190.97
    N,N-dimethylaniline 187.45
    acrylonitrile 294.97
    aniline 385.42
    1,3-propanediol 133.42
    bromobenzene 434.57
    dibromomethane 454.71
    1,1,2,2-tetrachloroethane 476.73
    2-methyl-cyclohexyl acetate 166.35
    tetrabutyl urea 90.54
    diisobutyl methanol 79.65
    2-phenylethanol 269.0
    styrene 222.63
    dioctyl adipate 120.37
    dimethyl sulfate 90.66
    ethyl butyrate 174.5
    methyl lactate 83.54
    butyl lactate 106.74
    diethyl carbonate 127.55
    propanediol butyl ether 122.5
    triethyl orthoformate 126.49
    p-tert-butyltoluene 113.78
    methyl 4-tert-butylbenzoate 180.68
    morpholine 846.97
    tert-butylamine 163.42
    n-dodecanol 46.1
    dimethoxymethane 331.28
    ethylene carbonate 218.67
    cyrene 146.06
    2-ethoxyethyl acetate 230.54
    2-ethylhexyl acetate 204.29
    1,2,4-trichlorobenzene 319.75
    4-methylpyridine 665.58
    dibutyl ether 102.95
    2,6-dimethyl-4-heptanol 79.65
    DEF 213.97
    dimethyl isosorbide 328.86
    tetrachloroethylene 301.53
    eugenol 170.41
    triacetin 176.28
    span 80 152.11
    1,4-butanediol 40.67
    1,1-dichloroethane 402.96
    2-methyl-1-pentanol 116.47
    methyl formate 113.64
    2-methyl-1-butanol 150.63
    n-decane 14.54
    butyronitrile 316.49
    3,7-dimethyl-1-octanol 93.26
    1-chlorooctane 60.6
    1-chlorotetradecane 28.15
    n-nonane 12.55
    undecane 10.82
    tert-butylcyclohexane 29.92
    cyclooctane 21.96
    cyclopentanol 180.49
    tetrahydropyran 751.46
    tert-amyl methyl ether 139.9
    2,5,8-trioxanonane 270.69
    1-hexene 78.43
    2-isopropoxyethanol 112.53
    2,2,2-trifluoroethanol 43.88
    methyl butyrate 177.85

    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) 5.0%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 2.9%