Vetivazulene

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  • Identifiers

    CAS number
    529-08-8

    Molecular formula
    C15H18

    SMILES
    CC1=C2C=C(C=C2C(=CC=C1)C)C(C)C

  • Odor profile

    Herbal 53.88%
    Spicy 53.24%
    Woody 49.95%
    Leathery 44.76%
    Earthy 40.7%
    Phenolic 40.52%
    Animal 36.81%
    Green 31.45%
    Dry 29.82%
    Medicinal 29.01%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    8.22 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    293°C

    Flash point est.
    116.05 ˚C

  • Synonyms

    • Vetivazulene
    • 2-Isopropyl-4,8-dimethylazulene
    • 529-08-8
    • 5DFF5RUP6X
    • EINECS 208-450-1
    • DTXSID80200940
    • AZULENE, 2-ISOPROPYL-4,8-DIMETHYL-
    • Azulene, 4,8-dimethyl-2-(1-methylethyl)-
    • 4,8-DIMETHYL-2-(1-METHYLETHYL)AZULENE (ACI)
    • 4,8-dimethyl-2-propan-2-ylazulene
    • UNII-5DFF5RUP6X
    • DTXCID10123431
    • NS00042487
    • 4,8-DIMETHYL-2-(1-METHYLETHYL)AZULENE
    • Q2862043

  • Applications

    Vetivazulene (CAS 529-08-8) is an azulene derivative originating from vetiver oil, used mainly in cosmetics and personal care as a soothing, anti‑irritant and mild antioxidant to calm post‑sun, post‑shave or post‑exfoliation redness, while also serving as a natural blue colorant for creams, gels, serums and soaps; in perfumery it contributes a bluish hue and depth to smoky‑woody vetiver accords; in research and industry its electron‑rich azulene scaffold is employed as a building block for functional organic materials, dyes and sensors, and as an analytical marker for vetiver oil authentication/standardization, with practical notes of poor water solubility (good in oils/organic solvents), light/air sensitivity (store tightly sealed, protected from light), and low recommended use levels to minimize staining.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 337.14
    methanol 170.26
    isopropanol 269.96
    water 0.03
    ethyl acetate 1104.82
    n-propanol 365.7
    acetone 1446.37
    n-butanol 431.22
    acetonitrile 522.69
    DMF 1367.12
    toluene 1538.78
    isobutanol 285.38
    1,4-dioxane 2768.1
    methyl acetate 906.0
    THF 4809.1
    2-butanone 1320.91
    n-pentanol 338.29
    sec-butanol 288.21
    n-hexane 550.94
    ethylene glycol 14.88
    NMP 1122.02
    cyclohexane 602.9
    DMSO 448.07
    n-butyl acetate 1912.5
    n-octanol 326.2
    chloroform 2167.5
    n-propyl acetate 748.64
    acetic acid 149.31
    dichloromethane 2849.18
    cyclohexanone 2160.4
    propylene glycol 36.81
    isopropyl acetate 657.08
    DMAc 871.42
    2-ethoxyethanol 270.75
    isopentanol 362.15
    n-heptane 588.78
    ethyl formate 529.96
    1,2-dichloroethane 1969.82
    n-hexanol 866.88
    2-methoxyethanol 370.56
    isobutyl acetate 653.61
    tetrachloromethane 413.58
    n-pentyl acetate 706.73
    transcutol 891.27
    n-heptanol 324.1
    ethylbenzene 705.46
    MIBK 670.58
    2-propoxyethanol 734.35
    tert-butanol 370.14
    MTBE 1132.54
    2-butoxyethanol 362.35
    propionic acid 179.79
    o-xylene 544.59
    formic acid 13.48
    diethyl ether 1957.49
    m-xylene 745.03
    p-xylene 840.98
    chlorobenzene 1092.54
    dimethyl carbonate 319.91
    n-octane 187.77
    formamide 47.73
    cyclopentanone 2616.86
    2-pentanone 1302.29
    anisole 903.81
    cyclopentyl methyl ether 1904.35
    gamma-butyrolactone 1760.24
    1-methoxy-2-propanol 328.11
    pyridine 2217.18
    3-pentanone 1093.62
    furfural 829.16
    n-dodecane 106.29
    diethylene glycol 174.98
    diisopropyl ether 495.02
    tert-amyl alcohol 335.17
    acetylacetone 986.16
    n-hexadecane 129.87
    acetophenone 620.62
    methyl propionate 798.04
    isopentyl acetate 1397.22
    trichloroethylene 2743.71
    n-nonanol 307.81
    cyclohexanol 479.07
    benzyl alcohol 383.81
    2-ethylhexanol 674.93
    isooctanol 264.29
    dipropyl ether 1794.77
    1,2-dichlorobenzene 719.63
    ethyl lactate 139.63
    propylene carbonate 799.8
    n-methylformamide 326.99
    2-pentanol 303.36
    n-pentane 315.52
    1-propoxy-2-propanol 578.61
    1-methoxy-2-propyl acetate 879.57
    2-(2-methoxypropoxy) propanol 318.69
    mesitylene 399.56
    ε-caprolactone 1259.68
    p-cymene 466.94
    epichlorohydrin 2228.4
    1,1,1-trichloroethane 1392.67
    2-aminoethanol 53.7
    morpholine-4-carbaldehyde 1110.5
    sulfolane 1007.6
    2,2,4-trimethylpentane 110.56
    2-methyltetrahydrofuran 2833.41
    n-hexyl acetate 916.62
    isooctane 103.86
    2-(2-butoxyethoxy)ethanol 443.33
    sec-butyl acetate 507.62
    tert-butyl acetate 682.05
    decalin 244.76
    glycerin 37.91
    diglyme 1049.75
    acrylic acid 119.92
    isopropyl myristate 395.98
    n-butyric acid 389.01
    acetyl acetate 470.85
    di(2-ethylhexyl) phthalate 246.39
    ethyl propionate 629.74
    nitromethane 402.61
    1,2-diethoxyethane 1299.59
    benzonitrile 623.2
    trioctyl phosphate 204.11
    1-bromopropane 1544.64
    gamma-valerolactone 1954.07
    n-decanol 243.99
    triethyl phosphate 280.44
    4-methyl-2-pentanol 194.63
    propionitrile 592.39
    vinylene carbonate 608.36
    1,1,2-trichlorotrifluoroethane 376.91
    DMS 560.88
    cumene 397.29
    2-octanol 251.6
    2-hexanone 900.86
    octyl acetate 472.87
    limonene 706.81
    1,2-dimethoxyethane 1323.32
    ethyl orthosilicate 296.48
    tributyl phosphate 238.09
    diacetone alcohol 410.28
    N,N-dimethylaniline 572.86
    acrylonitrile 497.01
    aniline 671.18
    1,3-propanediol 123.98
    bromobenzene 1434.19
    dibromomethane 1971.3
    1,1,2,2-tetrachloroethane 1633.35
    2-methyl-cyclohexyl acetate 629.98
    tetrabutyl urea 350.26
    diisobutyl methanol 321.86
    2-phenylethanol 626.02
    styrene 852.74
    dioctyl adipate 449.32
    dimethyl sulfate 311.33
    ethyl butyrate 1085.24
    methyl lactate 118.53
    butyl lactate 260.03
    diethyl carbonate 537.32
    propanediol butyl ether 198.2
    triethyl orthoformate 567.89
    p-tert-butyltoluene 444.92
    methyl 4-tert-butylbenzoate 438.6
    morpholine 2418.03
    tert-butylamine 329.52
    n-dodecanol 204.18
    dimethoxymethane 1338.06
    ethylene carbonate 601.19
    cyrene 334.47
    2-ethoxyethyl acetate 763.18
    2-ethylhexyl acetate 1254.96
    1,2,4-trichlorobenzene 749.76
    4-methylpyridine 2116.4
    dibutyl ether 994.69
    2,6-dimethyl-4-heptanol 321.86
    DEF 1179.38
    dimethyl isosorbide 807.16
    tetrachloroethylene 1006.75
    eugenol 344.74
    triacetin 433.02
    span 80 322.99
    1,4-butanediol 56.81
    1,1-dichloroethane 1546.03
    2-methyl-1-pentanol 348.97
    methyl formate 314.92
    2-methyl-1-butanol 345.6
    n-decane 204.45
    butyronitrile 796.78
    3,7-dimethyl-1-octanol 312.72
    1-chlorooctane 534.85
    1-chlorotetradecane 216.63
    n-nonane 227.14
    undecane 143.16
    tert-butylcyclohexane 217.4
    cyclooctane 251.92
    cyclopentanol 513.53
    tetrahydropyran 3475.82
    tert-amyl methyl ether 701.21
    2,5,8-trioxanonane 603.1
    1-hexene 1204.05
    2-isopropoxyethanol 259.42
    2,2,2-trifluoroethanol 37.46
    methyl butyrate 823.97

    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) 0.1%
Pinus sylvestris 2 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.2%