Vetiveryl acetate

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  • Identifiers

    CAS number
    117-98-6

    Molecular formula
    C17H26O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Woody 79.47%
    Sweet 58.17%
    Herbal 55.77%
    Fresh 51.85%
    Spicy 47.73%
    Balsamic 39.66%
    Dry 38.12%
    Floral 35.37%
    Pine 34.69%
    Citrus 32.38%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    262.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point est.
    118.98 ˚C

    Solubility expt.

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

  • Synonyms

    • Vetiveryl acetate
    • Vetiver acetate
    • Vetivert acetate
    • 117-98-6
    • 62563-80-8
    • Vetiverol, acetate
    • Vetiver acetate, Java
    • 1,2,3,3a,4,5,6,8a-Octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl acetate
    • (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) acetate
    • Z5JO63XGNK
    • Vetiveryl acetate (Vetiveria zizanioides (L.) Nash)
    • 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-acetate
    • 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, acetate
    • 6-AZULENOL, 1,2,3,3a,4,5,6,8a-OCTAHYDRO-2-ISOPROPYLIDENE-4,8-DIMETHYL-, ACETATE
    • VETIVEROL ACETATE
    • EINECS 263-597-9
    • UNII-Z5JO63XGNK
    • acetylated
    • acetyver
    • acetyl vetiver
    • AI3-24214
    • Vetyvenyl acetate
    • Vetyveryl acetate
    • EINECS 204-225-7
    • Vetiveria zizanioides
    • vetiver oil acetylated
    • UNII:Z5JO63XGNK
    • vetiveryl acetate java 960
    • SCHEMBL758651
    • FEMA NO. 4218
    • VETIVERYL ACETATE [FHFI]
    • DTXSID60861750
    • CHEBI:177505
    • NS00041757
    • Q27295023
    • 1,2,3,3A,4,5,6,8A-OCTAHYDRO-2-ISOPROPYLIDENE-4,8- DIMETHYLAZULEN-6-YL ACETATE
    • 4,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 625.9
    methanol 772.91
    isopropanol 522.96
    water 0.93
    ethyl acetate 438.65
    n-propanol 533.07
    acetone 513.39
    n-butanol 504.46
    acetonitrile 405.75
    DMF 614.84
    toluene 693.27
    isobutanol 402.14
    1,4-dioxane 1626.18
    methyl acetate 399.05
    THF 1676.31
    2-butanone 488.82
    n-pentanol 361.35
    sec-butanol 415.43
    n-hexane 47.09
    ethylene glycol 49.53
    NMP 514.23
    cyclohexane 155.96
    DMSO 330.59
    n-butyl acetate 382.22
    n-octanol 171.38
    chloroform 2226.47
    n-propyl acetate 283.64
    acetic acid 293.7
    dichloromethane 1409.5
    cyclohexanone 747.65
    propylene glycol 123.15
    isopropyl acetate 306.56
    DMAc 519.88
    2-ethoxyethanol 367.1
    isopentanol 411.25
    n-heptane 33.35
    ethyl formate 259.14
    1,2-dichloroethane 648.99
    n-hexanol 472.11
    2-methoxyethanol 525.52
    isobutyl acetate 244.54
    tetrachloromethane 233.48
    n-pentyl acetate 260.34
    transcutol 1215.65
    n-heptanol 197.61
    ethylbenzene 258.08
    MIBK 275.05
    2-propoxyethanol 593.04
    tert-butanol 520.07
    MTBE 488.76
    2-butoxyethanol 348.53
    propionic acid 258.14
    o-xylene 299.27
    formic acid 94.33
    diethyl ether 535.34
    m-xylene 373.05
    p-xylene 361.36
    chlorobenzene 572.04
    dimethyl carbonate 142.64
    n-octane 15.67
    formamide 148.16
    cyclopentanone 702.93
    2-pentanone 367.95
    anisole 433.2
    cyclopentyl methyl ether 587.37
    gamma-butyrolactone 671.42
    1-methoxy-2-propanol 441.54
    pyridine 1051.26
    3-pentanone 290.58
    furfural 592.01
    n-dodecane 14.71
    diethylene glycol 330.15
    diisopropyl ether 143.89
    tert-amyl alcohol 375.22
    acetylacetone 381.55
    n-hexadecane 17.64
    acetophenone 348.48
    methyl propionate 287.1
    isopentyl acetate 368.78
    trichloroethylene 1258.25
    n-nonanol 160.83
    cyclohexanol 501.29
    benzyl alcohol 394.62
    2-ethylhexanol 231.76
    isooctanol 157.34
    dipropyl ether 230.92
    1,2-dichlorobenzene 438.16
    ethyl lactate 137.71
    propylene carbonate 396.23
    n-methylformamide 268.71
    2-pentanol 301.14
    n-pentane 52.79
    1-propoxy-2-propanol 412.22
    1-methoxy-2-propyl acetate 383.58
    2-(2-methoxypropoxy) propanol 306.21
    mesitylene 202.17
    ε-caprolactone 601.35
    p-cymene 137.96
    epichlorohydrin 868.45
    1,1,1-trichloroethane 695.96
    2-aminoethanol 170.74
    morpholine-4-carbaldehyde 720.24
    sulfolane 475.08
    2,2,4-trimethylpentane 33.06
    2-methyltetrahydrofuran 1057.12
    n-hexyl acetate 354.94
    isooctane 24.79
    2-(2-butoxyethoxy)ethanol 444.42
    sec-butyl acetate 227.46
    tert-butyl acetate 296.8
    decalin 58.63
    glycerin 143.75
    diglyme 706.89
    acrylic acid 190.24
    isopropyl myristate 138.16
    n-butyric acid 417.05
    acetyl acetate 302.99
    di(2-ethylhexyl) phthalate 166.65
    ethyl propionate 222.63
    nitromethane 421.43
    1,2-diethoxyethane 454.71
    benzonitrile 490.23
    trioctyl phosphate 106.19
    1-bromopropane 474.65
    gamma-valerolactone 925.51
    n-decanol 117.97
    triethyl phosphate 128.02
    4-methyl-2-pentanol 184.92
    propionitrile 398.71
    vinylene carbonate 414.57
    1,1,2-trichlorotrifluoroethane 485.27
    DMS 278.35
    cumene 160.37
    2-octanol 137.51
    2-hexanone 303.56
    octyl acetate 179.93
    limonene 179.3
    1,2-dimethoxyethane 666.57
    ethyl orthosilicate 132.23
    tributyl phosphate 127.46
    diacetone alcohol 303.27
    N,N-dimethylaniline 262.22
    acrylonitrile 381.26
    aniline 569.97
    1,3-propanediol 280.63
    bromobenzene 652.73
    dibromomethane 930.44
    1,1,2,2-tetrachloroethane 1048.96
    2-methyl-cyclohexyl acetate 250.94
    tetrabutyl urea 158.07
    diisobutyl methanol 116.68
    2-phenylethanol 426.81
    styrene 324.58
    dioctyl adipate 195.34
    dimethyl sulfate 165.9
    ethyl butyrate 246.55
    methyl lactate 148.89
    butyl lactate 205.24
    diethyl carbonate 171.12
    propanediol butyl ether 309.39
    triethyl orthoformate 193.15
    p-tert-butyltoluene 135.21
    methyl 4-tert-butylbenzoate 267.07
    morpholine 1678.93
    tert-butylamine 334.49
    n-dodecanol 88.73
    dimethoxymethane 493.95
    ethylene carbonate 370.15
    cyrene 293.62
    2-ethoxyethyl acetate 369.25
    2-ethylhexyl acetate 304.85
    1,2,4-trichlorobenzene 524.8
    4-methylpyridine 978.58
    dibutyl ether 197.78
    2,6-dimethyl-4-heptanol 116.68
    DEF 357.14
    dimethyl isosorbide 488.0
    tetrachloroethylene 643.0
    eugenol 281.85
    triacetin 301.92
    span 80 303.77
    1,4-butanediol 126.46
    1,1-dichloroethane 776.04
    2-methyl-1-pentanol 340.4
    methyl formate 191.1
    2-methyl-1-butanol 388.05
    n-decane 25.24
    butyronitrile 451.19
    3,7-dimethyl-1-octanol 182.02
    1-chlorooctane 115.8
    1-chlorotetradecane 48.08
    n-nonane 22.75
    undecane 18.56
    tert-butylcyclohexane 49.41
    cyclooctane 41.53
    cyclopentanol 446.24
    tetrahydropyran 1483.35
    tert-amyl methyl ether 289.08
    2,5,8-trioxanonane 492.8
    1-hexene 197.46
    2-isopropoxyethanol 288.97
    2,2,2-trifluoroethanol 105.35
    methyl butyrate 289.46

    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