alpha-Vetivone

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  • Identifiers

    CAS number
    15764-04-2

    Molecular formula
    C15H22O

    SMILES
    C[C@@H]1CC(=O)C=C2[C@]1(CC(=C(C)C)CC2)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1822.0

  • Odor profile

    Woody 78.01%
    Sweet 46.2%
    Dry 46.18%
    Musk 41.32%
    Tobacco 41.22%
    Amber 41.0%
    Spicy 40.09%
    Powdery 38.96%
    Orris 37.98%
    Cedar 37.55%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point est.
    117.67 ˚C

  • Synonyms

    • alpha-Vetivone
    • Isonootkatone
    • Isonootkaton
    • 15764-04-2
    • UNII-WA62V77MMV
    • .alpha.-Vetivone
    • WA62V77MMV
    • (+)-Isonootkatone
    • (+)-.alpha.-Vetivon
    • (+)-.alpha.-Vetivone
    • EINECS 239-855-1
    • (4R,4aS)-4,4a-dimethyl-6-propan-2-ylidene-4,5,7,8-tetrahydro-3H-naphthalen-2-one
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R,4aS)-
    • .ALPHA.-VETIVONE [MI]
    • DTXSID60884848
    • C09744
    • 4.beta.H,5.alpha.-Eremophila-1(10),7(11)-dien-2-one
    • (4R-cis)-4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethylidene)naphthalen-2(3H)-one
    • 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)-
    • (4R,4aS)-6-isopropylidene-4,4a-dimethyl-4,5,7,8-tetrahydro-3H-naphthalen-2-one
    • (4R-CIS)-4,4A,5,6,7,8-HEXAHYDRO-4,4A-DIMETHYL-6-(1-METHYLETHYLIDENE)-2(3H)-NAPHTHALENONE
    • a-Vetivone
    • (+)-alpha-Vetivone
    • (+)-ALPHA-VETIVON
    • SCHEMBL1545445
    • CHEBI:10339
    • NIIPDXITZPFFTE-ABAIWWIYSA-N
    • DTXCID201024269
    • NS00051642
    • Q8083965
    • 4betaH,5alpha-Eremophila-1(10),7(11)-dien-2-one
    • 239-855-1

  • Applications

    alpha‑Vetivone (CAS 15764‑04‑2) is a signature sesquiterpene ketone from vetiver oil with a warm woody–earthy, subtly smoky elegance; it is used as a base note and natural fixative in fine fragrance, eau de toilette, body sprays, candles, and personal/home/laundry care to extend, deepen, and stabilize woody, leathery, musky, and ambery facets; it serves as a characterful aroma ingredient in soaps, shampoos, aftershaves, and deodorants where a clean earthy long‑lasting effect is desired; it is employed as an analytical reference standard for vetiver identification/quantitation in GC–MS quality control and provenance/authenticity testing; it acts as a building block for vetiver‑ and amber‑toned aroma chemicals, structure–odor studies, and for encapsulation and controlled‑release delivery in fabric care; and it has been explored in vetiver‑derived insect‑repellent accords and air‑care deodorization, with storage recommended in airtight, light/oxygen‑protected conditions and formulation aligned with IFRA guidance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 228.71
    methanol 172.39
    isopropanol 275.51
    water 0.5
    ethyl acetate 382.2
    n-propanol 260.93
    acetone 386.27
    n-butanol 233.87
    acetonitrile 369.57
    DMF 604.47
    toluene 550.38
    isobutanol 198.72
    1,4-dioxane 1011.35
    methyl acetate 428.38
    THF 1078.05
    2-butanone 506.09
    n-pentanol 130.76
    sec-butanol 188.41
    n-hexane 23.79
    ethylene glycol 27.9
    NMP 276.42
    cyclohexane 81.58
    DMSO 179.81
    n-butyl acetate 335.29
    n-octanol 117.88
    chloroform 1106.83
    n-propyl acetate 212.25
    acetic acid 93.42
    dichloromethane 781.55
    cyclohexanone 614.72
    propylene glycol 56.69
    isopropyl acetate 247.88
    DMAc 409.41
    2-ethoxyethanol 167.5
    isopentanol 194.27
    n-heptane 30.27
    ethyl formate 221.55
    1,2-dichloroethane 459.82
    n-hexanol 275.31
    2-methoxyethanol 327.36
    isobutyl acetate 176.14
    tetrachloromethane 160.26
    n-pentyl acetate 217.94
    transcutol 581.84
    n-heptanol 138.77
    ethylbenzene 242.43
    MIBK 217.86
    2-propoxyethanol 391.54
    tert-butanol 298.14
    MTBE 296.2
    2-butoxyethanol 216.23
    propionic acid 141.28
    o-xylene 284.53
    formic acid 27.98
    diethyl ether 333.64
    m-xylene 332.47
    p-xylene 324.88
    chlorobenzene 425.67
    dimethyl carbonate 135.89
    n-octane 18.89
    formamide 72.5
    cyclopentanone 650.06
    2-pentanone 344.23
    anisole 381.87
    cyclopentyl methyl ether 342.11
    gamma-butyrolactone 538.65
    1-methoxy-2-propanol 312.22
    pyridine 749.48
    3-pentanone 297.8
    furfural 466.52
    n-dodecane 15.54
    diethylene glycol 198.21
    diisopropyl ether 106.28
    tert-amyl alcohol 181.01
    acetylacetone 332.05
    n-hexadecane 18.88
    acetophenone 289.87
    methyl propionate 292.96
    isopentyl acetate 326.83
    trichloroethylene 850.44
    n-nonanol 112.14
    cyclohexanol 238.47
    benzyl alcohol 242.44
    2-ethylhexanol 163.3
    isooctanol 112.37
    dipropyl ether 179.45
    1,2-dichlorobenzene 329.21
    ethyl lactate 98.63
    propylene carbonate 285.86
    n-methylformamide 233.54
    2-pentanol 156.11
    n-pentane 29.78
    1-propoxy-2-propanol 323.35
    1-methoxy-2-propyl acetate 345.92
    2-(2-methoxypropoxy) propanol 203.17
    mesitylene 195.63
    ε-caprolactone 452.85
    p-cymene 141.45
    epichlorohydrin 670.96
    1,1,1-trichloroethane 544.13
    2-aminoethanol 90.54
    morpholine-4-carbaldehyde 510.18
    sulfolane 326.46
    2,2,4-trimethylpentane 17.2
    2-methyltetrahydrofuran 573.84
    n-hexyl acetate 275.81
    isooctane 19.13
    2-(2-butoxyethoxy)ethanol 258.45
    sec-butyl acetate 177.85
    tert-butyl acetate 256.07
    decalin 41.88
    glycerin 66.53
    diglyme 478.99
    acrylic acid 108.44
    isopropyl myristate 126.5
    n-butyric acid 232.05
    acetyl acetate 216.03
    di(2-ethylhexyl) phthalate 111.61
    ethyl propionate 203.63
    nitromethane 274.24
    1,2-diethoxyethane 338.07
    benzonitrile 380.89
    trioctyl phosphate 80.78
    1-bromopropane 320.63
    gamma-valerolactone 768.35
    n-decanol 87.19
    triethyl phosphate 114.04
    4-methyl-2-pentanol 112.06
    propionitrile 418.7
    vinylene carbonate 325.02
    1,1,2-trichlorotrifluoroethane 253.43
    DMS 260.36
    cumene 150.62
    2-octanol 101.64
    2-hexanone 233.34
    octyl acetate 146.72
    limonene 162.92
    1,2-dimethoxyethane 407.2
    ethyl orthosilicate 111.47
    tributyl phosphate 94.3
    diacetone alcohol 237.07
    N,N-dimethylaniline 233.0
    acrylonitrile 423.38
    aniline 386.95
    1,3-propanediol 155.34
    bromobenzene 464.78
    dibromomethane 509.69
    1,1,2,2-tetrachloroethane 640.16
    2-methyl-cyclohexyl acetate 197.0
    tetrabutyl urea 120.35
    diisobutyl methanol 102.06
    2-phenylethanol 309.45
    styrene 269.84
    dioctyl adipate 146.43
    dimethyl sulfate 147.19
    ethyl butyrate 220.33
    methyl lactate 119.95
    butyl lactate 150.61
    diethyl carbonate 156.76
    propanediol butyl ether 181.27
    triethyl orthoformate 159.07
    p-tert-butyltoluene 143.7
    methyl 4-tert-butylbenzoate 235.33
    morpholine 936.06
    tert-butylamine 201.94
    n-dodecanol 68.89
    dimethoxymethane 401.64
    ethylene carbonate 272.56
    cyrene 180.13
    2-ethoxyethyl acetate 299.19
    2-ethylhexyl acetate 260.54
    1,2,4-trichlorobenzene 366.09
    4-methylpyridine 741.61
    dibutyl ether 157.92
    2,6-dimethyl-4-heptanol 102.06
    DEF 288.75
    dimethyl isosorbide 359.65
    tetrachloroethylene 372.85
    eugenol 222.78
    triacetin 235.18
    span 80 178.43
    1,4-butanediol 52.98
    1,1-dichloroethane 563.33
    2-methyl-1-pentanol 126.43
    methyl formate 177.98
    2-methyl-1-butanol 164.45
    n-decane 26.68
    butyronitrile 365.81
    3,7-dimethyl-1-octanol 125.53
    1-chlorooctane 99.46
    1-chlorotetradecane 45.46
    n-nonane 24.34
    undecane 19.88
    tert-butylcyclohexane 36.79
    cyclooctane 27.61
    cyclopentanol 229.71
    tetrahydropyran 888.8
    tert-amyl methyl ether 180.2
    2,5,8-trioxanonane 311.27
    1-hexene 105.72
    2-isopropoxyethanol 153.27
    2,2,2-trifluoroethanol 52.07
    methyl butyrate 245.6

    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%
Teucrium carolipaui (Spain) Teucrium carolipaui Pau, fam. Lamiaceae (Labiatae) 0.1%
Eucalyptus camaldulensis (Egypt) fruit Eucalyptus camaldulensis Dehn. var. brevirostris, fam. Myrtaceae 8.28%