Vetiselinenol

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  • Identifiers

    CAS number
    28102-68-3

    Molecular formula
    C15H24O

    SMILES
    CC(CO)C1=CCC2(CCCC(=C)C2C1)C

  • Odor profile

    Woody 66.69%
    Amber 38.7%
    Floral 35.78%
    Sandalwood 34.91%
    Dry 34.25%
    Balsamic 31.57%
    Waxy 30.01%
    Animal 29.9%
    Spicy 28.6%
    Fruity 28.48%

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  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point est.
    135.07 ˚C

  • Synonyms

    • Vetiselinenol
    • RQWRGJGCTMAFBS-UHFFFAOYSA-N
    • Q67880151
    • 5.beta.,10.alpha.-Eudesma-4(14),7-dien-12-ol, (11R)-
    • (R)-2-((4aS,8aR)-4a-Methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-1-ol
    • 2-Naphthaleneethanol, 1,4,4a,5,6,7,8,8a-octahydro-.beta.,4a-dimethyl-8-methylene-, (.beta.R,4aS,8aR)-
    • 2-Naphthaleneethanol, 1,4,4a,5,6,7,8,8a-octahydro-.beta.,4a-dimethyl-8-methylene-, [4aS-[2(S*),4a.alpha.,8a.beta.]]-

  • Applications

    Vetiselinenol (CAS 28102-68-3) is a sesquiterpenoid alcohol found in vetiver oil, used primarily in perfumery as a long-lasting base-note ingredient and fixative that imparts earthy, damp-woody, smoky, slightly bitter vetiver facets, adding depth, dryness and diffusion to fine fragrances, cosmetics, personal care, detergents, air care and candles, and it is valued for shaping woody–mossy, chypre, fougère, amber and leather accords, underpinning citrus, white floral, patchouli, sandalwood and resin notes, and for masking functional off-odors; in R&D it serves as an analytical marker/standard for vetiver oil identification, quality control and provenance studies by GC–MS/GC–FID, for semi-synthesis and structure–odor relationship investigations of sesquiterpenes, and as a building block for new odorants; its use should follow applicable safety and use-level guidance (IFRA, GHS, REACH/TSCA), with attention to stability in alkaline/oxidative bases, material compatibility, and assessment of toxicity, sensitization and substantivity on surfaces and textiles.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2313.97
    methanol 1797.93
    isopropanol 2396.45
    water 0.4
    ethyl acetate 2420.88
    n-propanol 2526.8
    acetone 1862.11
    n-butanol 2369.11
    acetonitrile 1394.09
    DMF 1679.33
    toluene 1857.17
    isobutanol 1405.05
    1,4-dioxane 4021.15
    methyl acetate 1485.84
    THF 4790.85
    2-butanone 1906.21
    n-pentanol 691.39
    sec-butanol 1292.34
    n-hexane 55.74
    ethylene glycol 101.33
    NMP 445.41
    cyclohexane 231.0
    DMSO 842.69
    n-butyl acetate 1387.68
    n-octanol 241.12
    chloroform 2739.21
    n-propyl acetate 824.71
    acetic acid 504.06
    dichloromethane 2019.17
    cyclohexanone 1654.89
    propylene glycol 247.84
    isopropyl acetate 1413.88
    DMAc 773.22
    2-ethoxyethanol 1006.09
    isopentanol 1582.21
    n-heptane 54.56
    ethyl formate 975.34
    1,2-dichloroethane 1437.76
    n-hexanol 1188.45
    2-methoxyethanol 2738.27
    isobutyl acetate 471.74
    tetrachloromethane 442.48
    n-pentyl acetate 539.69
    transcutol 4796.7
    n-heptanol 337.33
    ethylbenzene 345.28
    MIBK 923.02
    2-propoxyethanol 1943.78
    tert-butanol 2243.4
    MTBE 2786.67
    2-butoxyethanol 731.93
    propionic acid 604.76
    o-xylene 527.0
    formic acid 148.66
    diethyl ether 3624.29
    m-xylene 893.46
    p-xylene 362.53
    chlorobenzene 950.05
    dimethyl carbonate 425.26
    n-octane 14.77
    formamide 397.38
    cyclopentanone 1639.46
    2-pentanone 1817.88
    anisole 779.32
    cyclopentyl methyl ether 1710.42
    gamma-butyrolactone 1421.77
    1-methoxy-2-propanol 2111.02
    pyridine 2505.22
    3-pentanone 1056.37
    furfural 1097.56
    n-dodecane 8.53
    diethylene glycol 781.37
    diisopropyl ether 641.75
    tert-amyl alcohol 1046.34
    acetylacetone 1234.4
    n-hexadecane 10.69
    acetophenone 455.0
    methyl propionate 1370.26
    isopentyl acetate 1164.79
    trichloroethylene 2294.0
    n-nonanol 204.01
    cyclohexanol 1048.48
    benzyl alcohol 515.17
    2-ethylhexanol 475.12
    isooctanol 265.7
    dipropyl ether 1007.44
    1,2-dichlorobenzene 609.14
    ethyl lactate 235.72
    propylene carbonate 693.23
    n-methylformamide 1121.99
    2-pentanol 1244.92
    n-pentane 132.44
    1-propoxy-2-propanol 1440.27
    1-methoxy-2-propyl acetate 1396.69
    2-(2-methoxypropoxy) propanol 534.21
    mesitylene 427.43
    ε-caprolactone 1211.02
    p-cymene 211.16
    epichlorohydrin 2303.94
    1,1,1-trichloroethane 1206.86
    2-aminoethanol 469.86
    morpholine-4-carbaldehyde 1230.65
    sulfolane 742.86
    2,2,4-trimethylpentane 47.18
    2-methyltetrahydrofuran 2519.97
    n-hexyl acetate 613.14
    isooctane 64.22
    2-(2-butoxyethoxy)ethanol 993.64
    sec-butyl acetate 573.91
    tert-butyl acetate 1251.68
    decalin 53.11
    glycerin 271.26
    diglyme 2035.45
    acrylic acid 334.18
    isopropyl myristate 176.38
    n-butyric acid 1602.47
    acetyl acetate 753.62
    di(2-ethylhexyl) phthalate 176.19
    ethyl propionate 677.16
    nitromethane 1024.84
    1,2-diethoxyethane 2030.34
    benzonitrile 758.85
    trioctyl phosphate 114.08
    1-bromopropane 1073.25
    gamma-valerolactone 2015.95
    n-decanol 134.57
    triethyl phosphate 207.53
    4-methyl-2-pentanol 599.93
    propionitrile 1717.35
    vinylene carbonate 723.12
    1,1,2-trichlorotrifluoroethane 800.66
    DMS 420.5
    cumene 187.3
    2-octanol 180.14
    2-hexanone 664.96
    octyl acetate 216.92
    limonene 292.2
    1,2-dimethoxyethane 1994.64
    ethyl orthosilicate 247.02
    tributyl phosphate 158.66
    diacetone alcohol 942.36
    N,N-dimethylaniline 373.96
    acrylonitrile 1355.82
    aniline 1486.28
    1,3-propanediol 1225.88
    bromobenzene 981.05
    dibromomethane 1393.93
    1,1,2,2-tetrachloroethane 1651.94
    2-methyl-cyclohexyl acetate 367.5
    tetrabutyl urea 174.4
    diisobutyl methanol 305.88
    2-phenylethanol 673.62
    styrene 458.32
    dioctyl adipate 237.89
    dimethyl sulfate 316.23
    ethyl butyrate 788.27
    methyl lactate 360.97
    butyl lactate 361.05
    diethyl carbonate 430.71
    propanediol butyl ether 515.89
    triethyl orthoformate 547.17
    p-tert-butyltoluene 235.79
    methyl 4-tert-butylbenzoate 384.94
    morpholine 4859.85
    tert-butylamine 1528.77
    n-dodecanol 90.34
    dimethoxymethane 2395.33
    ethylene carbonate 717.01
    cyrene 293.91
    2-ethoxyethyl acetate 907.02
    2-ethylhexyl acetate 769.1
    1,2,4-trichlorobenzene 659.47
    4-methylpyridine 2255.55
    dibutyl ether 468.34
    2,6-dimethyl-4-heptanol 305.88
    DEF 1231.28
    dimethyl isosorbide 829.61
    tetrachloroethylene 1016.18
    eugenol 356.93
    triacetin 450.18
    span 80 388.85
    1,4-butanediol 199.66
    1,1-dichloroethane 1690.29
    2-methyl-1-pentanol 478.56
    methyl formate 646.4
    2-methyl-1-butanol 1172.95
    n-decane 20.01
    butyronitrile 2050.5
    3,7-dimethyl-1-octanol 313.67
    1-chlorooctane 131.63
    1-chlorotetradecane 35.79
    n-nonane 19.09
    undecane 12.26
    tert-butylcyclohexane 53.06
    cyclooctane 66.62
    cyclopentanol 780.28
    tetrahydropyran 4452.49
    tert-amyl methyl ether 993.48
    2,5,8-trioxanonane 984.45
    1-hexene 296.22
    2-isopropoxyethanol 619.8
    2,2,2-trifluoroethanol 142.46
    methyl butyrate 804.76

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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%