Vetiverol

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  • Identifiers

    CAS number
    68129-81-7

    Molecular formula
    C15H24O

    SMILES
    CC1CC(C=C(C2C1CC(=C(C)C)C2)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Woody 64.18%
    Spicy 50.24%
    Herbal 47.43%
    Sweet 45.39%
    Balsamic 39.8%
    Fresh 36.08%
    Earthy 34.76%
    Mint 32.99%
    Dry 32.49%
    Clean 31.5%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    335°C

    Flash point est.
    111.89 ˚C

    Solubility expt.

    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 89-88-3
    • Vetiverol (natural)
    • Vetyvenol
    • 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-
    • 4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-ol
    • UNII-627QG30491
    • VETIVEROL [FHFI]
    • EINECS 201-949-5
    • (+/-)-VETIVEROL
    • 627QG30491
    • FEMA NO. 4217
    • VETIVEROL, (+/-)-
    • DTXSID70861680
    • 1,2,3,3a,4,5,6,8a-Octahydro-4,8-dimethyl-2-(1-methylethylidene)-6-azulenol
    • 1,2,3,3A,4,5,6,8A-OCTAHYDRO-2-ISOPROPYLIDENE-4,8-DIMETHYL-6-AZULENOL
    • 6-AZULENOL, 1,2,3,3A,4,5,6,8A-OCTAHYDRO-2-ISOPROPYLIDENE-4,8-DIMETHYL-
    • SCHEMBL1245070
    • CHEMBL3732724
    • DTXCID20810567
    • CHEBI:195987
    • INIOTLARNNSXAE-UHFFFAOYSA-N
    • NS00066791
    • 201-949-5
    • 268-578-9
    • 933-023-8

  • Applications

    Vetiverol (CAS 68129-81-7) is a sesquiterpene alcohol fraction with the characteristic woody–earthy vetiver tone, used primarily as a base note and fixative in perfumery to boost longevity and depth in woody, chypre, fougère, and oriental accords; thanks to good alkaline/oxidative stability and low vapor pressure, it fits fine fragrances, cosmetics and personal care (creams, lotions, deodorants, shampoos), soaps and detergents, fabric care (conditioners, detergent scents), malodor counteracting in household cleaners, and air care (room sprays, candles, wax melts, reed/electric diffusers), including heated and microencapsulated systems; commonly employed to reinforce or partially replace natural vetiver oil, delivering a long-lasting smoky–rooty woody body that blends well with citrus (bergamot, grapefruit), florals (rose, jasmine), amber, musks, patchouli, and sandalwood; it dissolves readily in ethanol/DPG/IPM, is stable in soap pH, offers high substantivity on skin and textiles, and is often dosed at low levels as a “linking” material to round out compositions, following applicable IFRA safety guidelines.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.85
    methanol 644.31
    isopropanol 612.88
    water 0.7
    ethyl acetate 361.45
    n-propanol 563.49
    acetone 447.76
    n-butanol 553.15
    acetonitrile 406.16
    DMF 375.94
    toluene 425.28
    isobutanol 368.09
    1,4-dioxane 1254.55
    methyl acetate 317.38
    THF 1640.21
    2-butanone 400.26
    n-pentanol 291.58
    sec-butanol 340.05
    n-hexane 63.49
    ethylene glycol 37.21
    NMP 229.88
    cyclohexane 153.78
    DMSO 228.97
    n-butyl acetate 393.65
    n-octanol 185.53
    chloroform 1077.04
    n-propyl acetate 205.24
    acetic acid 189.36
    dichloromethane 704.1
    cyclohexanone 519.82
    propylene glycol 84.03
    isopropyl acetate 242.52
    DMAc 237.77
    2-ethoxyethanol 271.74
    isopentanol 386.45
    n-heptane 86.43
    ethyl formate 217.44
    1,2-dichloroethane 370.63
    n-hexanol 547.2
    2-methoxyethanol 468.03
    isobutyl acetate 172.41
    tetrachloromethane 183.37
    n-pentyl acetate 221.99
    transcutol 885.72
    n-heptanol 218.84
    ethylbenzene 151.63
    MIBK 226.99
    2-propoxyethanol 565.0
    tert-butanol 540.64
    MTBE 512.32
    2-butoxyethanol 321.77
    propionic acid 170.36
    o-xylene 175.03
    formic acid 50.89
    diethyl ether 625.34
    m-xylene 247.23
    p-xylene 192.64
    chlorobenzene 300.4
    dimethyl carbonate 85.39
    n-octane 30.76
    formamide 80.93
    cyclopentanone 547.28
    2-pentanone 336.25
    anisole 244.71
    cyclopentyl methyl ether 457.94
    gamma-butyrolactone 461.45
    1-methoxy-2-propanol 403.04
    pyridine 672.83
    3-pentanone 221.96
    furfural 342.47
    n-dodecane 22.16
    diethylene glycol 262.69
    diisopropyl ether 161.43
    tert-amyl alcohol 291.31
    acetylacetone 273.7
    n-hexadecane 25.81
    acetophenone 183.06
    methyl propionate 212.66
    isopentyl acetate 357.15
    trichloroethylene 604.26
    n-nonanol 166.15
    cyclohexanol 339.31
    benzyl alcohol 205.51
    2-ethylhexanol 254.01
    isooctanol 170.93
    dipropyl ether 366.9
    1,2-dichlorobenzene 214.26
    ethyl lactate 88.45
    propylene carbonate 249.24
    n-methylformamide 183.66
    2-pentanol 293.36
    n-pentane 87.53
    1-propoxy-2-propanol 422.04
    1-methoxy-2-propyl acetate 313.2
    2-(2-methoxypropoxy) propanol 223.33
    mesitylene 147.88
    ε-caprolactone 384.79
    p-cymene 130.63
    epichlorohydrin 545.45
    1,1,1-trichloroethane 417.02
    2-aminoethanol 127.17
    morpholine-4-carbaldehyde 394.97
    sulfolane 282.33
    2,2,4-trimethylpentane 36.18
    2-methyltetrahydrofuran 810.42
    n-hexyl acetate 279.01
    isooctane 39.92
    2-(2-butoxyethoxy)ethanol 342.94
    sec-butyl acetate 155.19
    tert-butyl acetate 249.12
    decalin 51.73
    glycerin 95.93
    diglyme 596.16
    acrylic acid 112.34
    isopropyl myristate 116.72
    n-butyric acid 362.42
    acetyl acetate 191.61
    di(2-ethylhexyl) phthalate 111.53
    ethyl propionate 155.83
    nitromethane 253.15
    1,2-diethoxyethane 453.39
    benzonitrile 287.99
    trioctyl phosphate 86.71
    1-bromopropane 371.62
    gamma-valerolactone 598.86
    n-decanol 120.84
    triethyl phosphate 95.79
    4-methyl-2-pentanol 179.86
    propionitrile 399.57
    vinylene carbonate 246.24
    1,1,2-trichlorotrifluoroethane 248.53
    DMS 154.27
    cumene 108.79
    2-octanol 143.71
    2-hexanone 213.56
    octyl acetate 145.04
    limonene 175.18
    1,2-dimethoxyethane 539.07
    ethyl orthosilicate 106.91
    tributyl phosphate 92.89
    diacetone alcohol 233.17
    N,N-dimethylaniline 154.23
    acrylonitrile 302.87
    aniline 340.79
    1,3-propanediol 257.33
    bromobenzene 320.87
    dibromomethane 519.19
    1,1,2,2-tetrachloroethane 468.7
    2-methyl-cyclohexyl acetate 190.08
    tetrabutyl urea 114.88
    diisobutyl methanol 146.69
    2-phenylethanol 285.01
    styrene 176.71
    dioctyl adipate 136.28
    dimethyl sulfate 85.04
    ethyl butyrate 232.45
    methyl lactate 94.3
    butyl lactate 155.4
    diethyl carbonate 136.75
    propanediol butyl ether 241.64
    triethyl orthoformate 178.04
    p-tert-butyltoluene 135.24
    methyl 4-tert-butylbenzoate 181.71
    morpholine 1165.24
    tert-butylamine 393.55
    n-dodecanol 92.27
    dimethoxymethane 416.88
    ethylene carbonate 234.36
    cyrene 174.04
    2-ethoxyethyl acetate 282.45
    2-ethylhexyl acetate 278.85
    1,2,4-trichlorobenzene 241.01
    4-methylpyridine 557.0
    dibutyl ether 231.44
    2,6-dimethyl-4-heptanol 146.69
    DEF 237.46
    dimethyl isosorbide 331.04
    tetrachloroethylene 296.94
    eugenol 179.87
    triacetin 188.28
    span 80 224.45
    1,4-butanediol 87.43
    1,1-dichloroethane 475.21
    2-methyl-1-pentanol 221.93
    methyl formate 136.74
    2-methyl-1-butanol 310.34
    n-decane 41.02
    butyronitrile 490.71
    3,7-dimethyl-1-octanol 173.5
    1-chlorooctane 123.99
    1-chlorotetradecane 52.06
    n-nonane 39.49
    undecane 28.97
    tert-butylcyclohexane 49.82
    cyclooctane 53.79
    cyclopentanol 340.33
    tetrahydropyran 1229.14
    tert-amyl methyl ether 235.2
    2,5,8-trioxanonane 360.51
    1-hexene 194.63
    2-isopropoxyethanol 216.98
    2,2,2-trifluoroethanol 59.05
    methyl butyrate 195.29

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 0.8%
Vetiver 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 50.0%