Verbenyl acetate

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  • Identifiers

    CAS number
    33522-69-9

    Molecular formula
    C12H18O2

    SMILES
    CC1=CC(C2CC1C2(C)C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1290.0

  • Odor profile

    Herbal 82.97%
    Fruity 80.17%
    Spicy 62.81%
    Woody 61.18%
    Mint 60.26%
    Pine 52.11%
    Sweet 49.98%
    Camphoreous 47.17%
    Fresh 44.59%
    Balsamic 41.56%

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  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.09 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    226°C

    Flash point est.
    99.98 ˚C

  • Synonyms

    • Verbenyl acetate
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate
    • 33522-69-9
    • Bicyclo[3.1.1]hept-2-en-4-ol, 2,6,6-trimethyl-, acetate
    • EINECS 251-559-4
    • Verbenyl acetate (trans)
    • verbenyl acetate (trans-)
    • SCHEMBL3503711
    • 4,6,6-Trimethylbicyclo(3.1.1.)hept-3-en-2-yl acetate
    • DTXSID20955144
    • NS00054692
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-yl acetate #

  • Applications

    Verbenyl acetate (CAS 33522-69-9) is a monoterpene ester used primarily as a fragrance ingredient, delivering a fresh green–herbaceous character with light camphor and resinous-woody facets and a faint citrus lift; in fine fragrances and personal care (eau de cologne, aromatic–citrus, fougère, chypre, lavender and green-floral accords) it boosts diffusion, rounds lemon/grapefruit/mint notes, balances woody–resinous materials and imparts a clean impression; in home and fabric care it is blended into laundry detergents, surface cleaners, soaps, dishwashing liquids, air-care sprays, candles and diffusers as a masking agent to create a natural fresh-air effect; it is also employed as a tonal modifier in fragrance compounding and as an intermediate for synthesizing related monoterpene derivatives for the aroma industry, with attention to formulation stability (pH, oxidation) and compliance with safety guidance, IFRA standards and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.87
    methanol 159.94
    isopropanol 104.02
    water 4.05
    ethyl acetate 159.45
    n-propanol 101.73
    acetone 176.83
    n-butanol 97.3
    acetonitrile 207.23
    DMF 278.78
    toluene 143.79
    isobutanol 87.64
    1,4-dioxane 450.84
    methyl acetate 181.29
    THF 496.87
    2-butanone 144.92
    n-pentanol 62.76
    sec-butanol 86.06
    n-hexane 11.03
    ethylene glycol 44.14
    NMP 291.99
    cyclohexane 34.77
    DMSO 128.69
    n-butyl acetate 123.4
    n-octanol 74.55
    chloroform 664.74
    n-propyl acetate 88.43
    acetic acid 152.88
    dichloromethane 500.53
    cyclohexanone 247.4
    propylene glycol 68.17
    isopropyl acetate 104.74
    DMAc 214.75
    2-ethoxyethanol 84.52
    isopentanol 89.42
    n-heptane 12.22
    ethyl formate 119.72
    1,2-dichloroethane 206.32
    n-hexanol 129.55
    2-methoxyethanol 199.07
    isobutyl acetate 72.84
    tetrachloromethane 91.67
    n-pentyl acetate 88.21
    transcutol 356.48
    n-heptanol 66.47
    ethylbenzene 75.75
    MIBK 96.27
    2-propoxyethanol 212.65
    tert-butanol 138.42
    MTBE 110.4
    2-butoxyethanol 114.68
    propionic acid 122.72
    o-xylene 105.7
    formic acid 72.1
    diethyl ether 95.4
    m-xylene 120.44
    p-xylene 112.81
    chlorobenzene 201.42
    dimethyl carbonate 91.46
    n-octane 6.5
    formamide 115.55
    cyclopentanone 293.21
    2-pentanone 114.41
    anisole 142.56
    cyclopentyl methyl ether 171.1
    gamma-butyrolactone 353.87
    1-methoxy-2-propanol 166.65
    pyridine 255.25
    3-pentanone 97.88
    furfural 308.23
    n-dodecane 8.25
    diethylene glycol 169.51
    diisopropyl ether 44.53
    tert-amyl alcohol 100.22
    acetylacetone 168.79
    n-hexadecane 9.44
    acetophenone 133.05
    methyl propionate 134.18
    isopentyl acetate 122.92
    trichloroethylene 454.44
    n-nonanol 68.19
    cyclohexanol 127.91
    benzyl alcohol 117.31
    2-ethylhexanol 81.1
    isooctanol 55.35
    dipropyl ether 68.31
    1,2-dichlorobenzene 194.69
    ethyl lactate 66.65
    propylene carbonate 233.37
    n-methylformamide 148.38
    2-pentanol 70.37
    n-pentane 13.5
    1-propoxy-2-propanol 146.52
    1-methoxy-2-propyl acetate 158.97
    2-(2-methoxypropoxy) propanol 143.07
    mesitylene 75.45
    ε-caprolactone 242.79
    p-cymene 60.74
    epichlorohydrin 355.7
    1,1,1-trichloroethane 254.42
    2-aminoethanol 77.74
    morpholine-4-carbaldehyde 324.84
    sulfolane 276.84
    2,2,4-trimethylpentane 12.14
    2-methyltetrahydrofuran 280.43
    n-hexyl acetate 145.94
    isooctane 10.2
    2-(2-butoxyethoxy)ethanol 171.37
    sec-butyl acetate 74.54
    tert-butyl acetate 115.1
    decalin 20.34
    glycerin 91.18
    diglyme 259.25
    acrylic acid 118.3
    isopropyl myristate 65.88
    n-butyric acid 140.83
    acetyl acetate 150.7
    di(2-ethylhexyl) phthalate 79.16
    ethyl propionate 92.12
    nitromethane 255.55
    1,2-diethoxyethane 124.71
    benzonitrile 181.3
    trioctyl phosphate 55.97
    1-bromopropane 116.14
    gamma-valerolactone 377.89
    n-decanol 54.41
    triethyl phosphate 64.19
    4-methyl-2-pentanol 58.45
    propionitrile 141.99
    vinylene carbonate 248.67
    1,1,2-trichlorotrifluoroethane 216.76
    DMS 147.34
    cumene 57.39
    2-octanol 48.64
    2-hexanone 89.05
    octyl acetate 84.61
    limonene 74.79
    1,2-dimethoxyethane 175.14
    ethyl orthosilicate 61.56
    tributyl phosphate 67.1
    diacetone alcohol 130.73
    N,N-dimethylaniline 95.84
    acrylonitrile 178.86
    aniline 158.44
    1,3-propanediol 111.21
    bromobenzene 208.75
    dibromomethane 286.15
    1,1,2,2-tetrachloroethane 335.41
    2-methyl-cyclohexyl acetate 109.57
    tetrabutyl urea 78.72
    diisobutyl methanol 48.47
    2-phenylethanol 158.62
    styrene 84.27
    dioctyl adipate 92.19
    dimethyl sulfate 123.23
    ethyl butyrate 97.98
    methyl lactate 91.93
    butyl lactate 86.26
    diethyl carbonate 84.51
    propanediol butyl ether 121.68
    triethyl orthoformate 79.57
    p-tert-butyltoluene 59.89
    methyl 4-tert-butylbenzoate 134.47
    morpholine 380.59
    tert-butylamine 95.46
    n-dodecanol 43.17
    dimethoxymethane 181.51
    ethylene carbonate 199.54
    cyrene 144.97
    2-ethoxyethyl acetate 127.85
    2-ethylhexyl acetate 104.01
    1,2,4-trichlorobenzene 227.78
    4-methylpyridine 271.85
    dibutyl ether 64.38
    2,6-dimethyl-4-heptanol 48.47
    DEF 127.1
    dimethyl isosorbide 247.89
    tetrachloroethylene 215.44
    eugenol 126.53
    triacetin 147.46
    span 80 131.98
    1,4-butanediol 44.13
    1,1-dichloroethane 249.27
    2-methyl-1-pentanol 69.78
    methyl formate 143.54
    2-methyl-1-butanol 83.67
    n-decane 11.83
    butyronitrile 141.37
    3,7-dimethyl-1-octanol 78.94
    1-chlorooctane 47.66
    1-chlorotetradecane 23.63
    n-nonane 10.2
    undecane 9.72
    tert-butylcyclohexane 17.99
    cyclooctane 12.9
    cyclopentanol 146.97
    tetrahydropyran 274.43
    tert-amyl methyl ether 83.16
    2,5,8-trioxanonane 200.62
    1-hexene 37.31
    2-isopropoxyethanol 75.77
    2,2,2-trifluoroethanol 88.4
    methyl butyrate 106.2

    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
Lavandula luisieri (Chemotype B) Lavandula luisieri L., Chemotype B, fam. Lamiaceae (Labiatae) 2.9%
Lavandula stoechas (ssp. sampaioana A) Lavandula stoechas L. (ssp. sampaioana, Chemotype A), fam. Lamiaceae 0.2%
Lavandula stoechas (ssp. pedunculata A) Lavandula stoechas L. (ssp. pedunculata, Chemotype A), fam. Lamiaceae 0.2%
Lavandula stoechas (ssp. pedunculata B) Lavandula stoechas L. (ssp. pedunculata, Chemotype B), fam. Lamiaceae 0.2%
Lavandula stoechas (ssp. sampaioana B) Lavandula stoechas L. (ssp. sampaioana, Chemotype B), fam. Lamiaceae 0.4%
Lavandula stoechas (ssp. stoechas) Lavandula stoechas L. (ssp. stoechas), fam. Lamiaceae (Labiatae) 0.1%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.39%