beta-Vetivenene

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  • Identifiers

    CAS number
    27840-40-0

    Molecular formula
    C15H22

    SMILES
    C[C@@H]1CC=CC2=CCC(=C(C)C)C[C@@]12C

    Retention indicies (RI)

    • DB5: 1560.0

  • Odor profile

    Woody 80.13%
    Spicy 56.16%
    Sweet 54.02%
    Herbal 40.5%
    Fresh 39.64%
    Citrus 39.64%
    Balsamic 38.44%
    Dry 37.67%
    Terpenic 36.9%
    Fruity 36.75%

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  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point est.
    101.4 ˚C

  • Synonyms

    • beta-Vetivenene
    • (8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
    • 27840-40-0
    • Q67879737

  • Applications

    beta‑Vetivenene (CAS 27840‑40‑0) is a sesquiterpene hydrocarbon characteristic of vetiver oil, used mainly in perfumery to deliver woody, earthy, smoky, lightly balsamic facets with good tenacity: applied in fine fragrances (fougère, chypre, woody, oriental, tobacco/leather), masculine and niche perfumes, and as a modifier/fixative in soaps, shampoos, detergents, candles, and home‑care products; occasionally explored at trace levels in flavor formulation to impart rooty/earthy nuances to beverages, confectionery, and baked goods; additionally employed as an odorant standard/marker in GC‑MS/GC‑O, in studies of sesquiterpene biosynthesis, and as a starting point for chemical transformations toward new aroma molecules, with investigations into typical sesquiterpene bioactivities (antimicrobial, antioxidant) for R&D—not for therapeutic use; its hydrophobicity and broad formulation compatibility suit oil systems and microencapsulation, with typical use levels from trace ppm up to about 0.1–1% depending on base and sensory target.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.71
    methanol 15.69
    isopropanol 50.25
    water 0.03
    ethyl acetate 202.59
    n-propanol 55.0
    acetone 127.85
    n-butanol 75.65
    acetonitrile 62.49
    DMF 124.6
    toluene 441.01
    isobutanol 51.15
    1,4-dioxane 393.35
    methyl acetate 155.69
    THF 632.34
    2-butanone 214.59
    n-pentanol 49.41
    sec-butanol 56.83
    n-hexane 65.77
    ethylene glycol 2.95
    NMP 136.68
    cyclohexane 139.42
    DMSO 53.7
    n-butyl acetate 342.18
    n-octanol 82.0
    chloroform 379.79
    n-propyl acetate 131.21
    acetic acid 19.4
    dichloromethane 328.3
    cyclohexanone 308.62
    propylene glycol 8.36
    isopropyl acetate 166.39
    DMAc 168.98
    2-ethoxyethanol 53.72
    isopentanol 80.48
    n-heptane 110.67
    ethyl formate 63.58
    1,2-dichloroethane 222.5
    n-hexanol 156.15
    2-methoxyethanol 66.06
    isobutyl acetate 131.72
    tetrachloromethane 97.48
    n-pentyl acetate 168.76
    transcutol 361.49
    n-heptanol 83.76
    ethylbenzene 217.46
    MIBK 159.82
    2-propoxyethanol 154.42
    tert-butanol 83.91
    MTBE 229.31
    2-butoxyethanol 101.03
    propionic acid 30.87
    o-xylene 242.08
    formic acid 2.8
    diethyl ether 246.01
    m-xylene 288.38
    p-xylene 267.93
    chlorobenzene 232.64
    dimethyl carbonate 60.36
    n-octane 42.36
    formamide 8.19
    cyclopentanone 329.81
    2-pentanone 188.61
    anisole 266.89
    cyclopentyl methyl ether 309.61
    gamma-butyrolactone 207.61
    1-methoxy-2-propanol 78.61
    pyridine 349.84
    3-pentanone 190.87
    furfural 157.19
    n-dodecane 28.94
    diethylene glycol 45.99
    diisopropyl ether 125.57
    tert-amyl alcohol 84.71
    acetylacetone 190.05
    n-hexadecane 35.34
    acetophenone 198.67
    methyl propionate 140.89
    isopentyl acetate 327.51
    trichloroethylene 368.09
    n-nonanol 86.83
    cyclohexanol 98.96
    benzyl alcohol 93.13
    2-ethylhexanol 157.13
    isooctanol 80.65
    dipropyl ether 311.79
    1,2-dichlorobenzene 206.62
    ethyl lactate 39.89
    propylene carbonate 126.95
    n-methylformamide 30.38
    2-pentanol 65.73
    n-pentane 56.76
    1-propoxy-2-propanol 164.28
    1-methoxy-2-propyl acetate 259.76
    2-(2-methoxypropoxy) propanol 152.34
    mesitylene 197.85
    ε-caprolactone 230.3
    p-cymene 201.95
    epichlorohydrin 270.87
    1,1,1-trichloroethane 284.91
    2-aminoethanol 9.64
    morpholine-4-carbaldehyde 190.62
    sulfolane 166.31
    2,2,4-trimethylpentane 36.42
    2-methyltetrahydrofuran 413.22
    n-hexyl acetate 233.98
    isooctane 38.95
    2-(2-butoxyethoxy)ethanol 160.6
    sec-butyl acetate 134.92
    tert-butyl acetate 208.88
    decalin 76.64
    glycerin 10.5
    diglyme 320.45
    acrylic acid 21.26
    isopropyl myristate 144.12
    n-butyric acid 69.71
    acetyl acetate 124.01
    di(2-ethylhexyl) phthalate 107.45
    ethyl propionate 138.51
    nitromethane 50.39
    1,2-diethoxyethane 316.36
    benzonitrile 142.97
    trioctyl phosphate 67.65
    1-bromopropane 237.34
    gamma-valerolactone 281.96
    n-decanol 70.41
    triethyl phosphate 107.53
    4-methyl-2-pentanol 65.49
    propionitrile 103.86
    vinylene carbonate 118.98
    1,1,2-trichlorotrifluoroethane 82.36
    DMS 171.29
    cumene 154.65
    2-octanol 65.46
    2-hexanone 152.02
    octyl acetate 147.82
    limonene 237.47
    1,2-dimethoxyethane 204.16
    ethyl orthosilicate 115.32
    tributyl phosphate 83.69
    diacetone alcohol 124.1
    N,N-dimethylaniline 194.31
    acrylonitrile 84.23
    aniline 167.13
    1,3-propanediol 24.5
    bromobenzene 328.28
    dibromomethane 253.43
    1,1,2,2-tetrachloroethane 273.82
    2-methyl-cyclohexyl acetate 217.27
    tetrabutyl urea 113.26
    diisobutyl methanol 108.71
    2-phenylethanol 171.43
    styrene 224.33
    dioctyl adipate 156.47
    dimethyl sulfate 64.2
    ethyl butyrate 236.03
    methyl lactate 33.89
    butyl lactate 77.57
    diethyl carbonate 142.79
    propanediol butyl ether 63.68
    triethyl orthoformate 174.0
    p-tert-butyltoluene 204.44
    methyl 4-tert-butylbenzoate 197.87
    morpholine 327.72
    tert-butylamine 83.49
    n-dodecanol 59.6
    dimethoxymethane 156.37
    ethylene carbonate 105.56
    cyrene 98.75
    2-ethoxyethyl acetate 210.3
    2-ethylhexyl acetate 313.08
    1,2,4-trichlorobenzene 234.8
    4-methylpyridine 355.32
    dibutyl ether 218.05
    2,6-dimethyl-4-heptanol 108.71
    DEF 168.44
    dimethyl isosorbide 313.92
    tetrachloroethylene 163.37
    eugenol 136.72
    triacetin 175.66
    span 80 120.46
    1,4-butanediol 10.01
    1,1-dichloroethane 224.52
    2-methyl-1-pentanol 65.28
    methyl formate 26.23
    2-methyl-1-butanol 72.15
    n-decane 49.52
    butyronitrile 116.42
    3,7-dimethyl-1-octanol 110.42
    1-chlorooctane 120.75
    1-chlorotetradecane 62.26
    n-nonane 47.58
    undecane 36.82
    tert-butylcyclohexane 72.63
    cyclooctane 74.18
    cyclopentanol 78.21
    tetrahydropyran 484.27
    tert-amyl methyl ether 170.87
    2,5,8-trioxanonane 235.36
    1-hexene 146.35
    2-isopropoxyethanol 61.45
    2,2,2-trifluoroethanol 9.09
    methyl butyrate 146.93

    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) 10.0%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.37%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Eucalyptus globulus (Yugoslavia) 1c branches 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 1.0%