Perillyl acetate

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  • Identifiers

    CAS number
    15111-96-3

    Molecular formula
    C12H18O2

    SMILES
    CC(=C)C1CCC(=CC1)COC(=O)C

    Retention indicies (RI)

    • DB5: 1324.0
    • Carbowax: 1902.8

  • Odor profile

    Fruity 90.43%
    Herbal 74.22%
    Green 69.83%
    Sweet 69.07%
    Spicy 63.26%
    Woody 62.25%
    Floral 61.28%
    Mint 53.81%
    Fresh 47.24%
    Citrus 43.47%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 218.00 to 223.00 °C. @ 760.00 mm Hg

    Flash point est.
    108.52 ˚C

    Solubility expt.

    • very slightly
    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Perillyl acetate
    • Perilla acetate
    • 15111-96-3
    • Dihydrocuminyl acetate
    • p-Mentha-1,8-dien-7-yl acetate
    • 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate
    • Menthadien-7-carbinyl acetate
    • p-Mentha-1,8-dien-7-ol, acetate
    • (4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate
    • 1,8-P-Menthadien-7-yl acetate
    • EINECS 239-162-4
    • FEMA No. 3561
    • 4-(1-Methylvinyl)cyclohex-1-ene-1-methyl acetate
    • 4-Isopropenyl-1-cyclohexene carbinyl acetate
    • UNII-7P95D01XYJ
    • DIHYDRO CUMINYL ACETATE
    • 7P95D01XYJ
    • 4-(1-Methylethenyl)-1-cyclohexene-1-methyl acetate
    • Perilla alcohol, acetate
    • (4-Isopropenyl-1-cyclohexen-1-yl)methyl acetate
    • 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, 1-acetate
    • DTXSID4051740
    • FEMA 3561
    • [4-(PROP-1-EN-2-YL)CYCLOHEX-1-EN-1-YL]METHYL ACETATE
    • Cyclohex-1-ene-1-methanol-4-(1-methylethenyl)-acetate
    • P-MENTHA-1,8-DIEN-7-YL ACETATE [FHFI]
    • (+/-)-P-MENTHA-1,8-DIEN-7-YL ACETATE
    • 4-ISOPROPENYL-1-CYCLOHEXENE CARBINOL ACETATE
    • P-MENTHA-1,8-DIEN-7-YL ACETATE, (+/-)-
    • (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methyl acetate
    • 4-(1-METHYLVINYL)CYCLOHEX-1-ENE-1-METHYLACETATE
    • (4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methyl acetic acid
    • [4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl acetic acid
    • Perillyl acetic acid
    • SCHEMBL1302136
    • DTXCID0030295
    • 1,8-para-Menthadien-7-yl acetate
    • AKOS006274505
    • 4-i-propenylcyclohex-1-enylmethyl acetate
    • NS00013011

  • Applications

    Perillyl acetate (CAS 15111-96-3) is a natural monoterpene ester with a citrus–herbal, slightly minty odor, used primarily in fragrance and flavor applications to impart fresh, clean, and long‑lasting notes to perfumes, deodorants, soaps, detergents, candles, and personal care products, as well as a flavoring for beverages, confectionery, chewing gum, and baked goods; in chemical manufacturing it serves as a versatile intermediate convertible to perillyl alcohol and other terpene derivatives, functions as a pro‑fragrance that releases odor via hydrolysis to enhance stability and performance, and is sometimes employed as a volatile odoriferous solvent or aroma booster in bio‑based detergents and household cleaners.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2161.62
    methanol 1643.65
    isopropanol 1836.42
    water 0.42
    ethyl acetate 1452.06
    n-propanol 1534.67
    acetone 1171.21
    n-butanol 1242.02
    acetonitrile 1088.2
    DMF 1106.23
    toluene 527.45
    isobutanol 925.91
    1,4-dioxane 2705.02
    methyl acetate 1080.21
    THF 1971.22
    2-butanone 1265.17
    n-pentanol 733.06
    sec-butanol 1288.57
    n-hexane 30.19
    ethylene glycol 188.96
    NMP 533.33
    cyclohexane 50.99
    DMSO 1142.94
    n-butyl acetate 538.77
    n-octanol 162.35
    chloroform 2461.88
    n-propyl acetate 503.94
    acetic acid 630.75
    dichloromethane 1924.3
    cyclohexanone 904.06
    propylene glycol 632.1
    isopropyl acetate 715.06
    DMAc 951.15
    2-ethoxyethanol 1126.63
    isopentanol 909.03
    n-heptane 12.87
    ethyl formate 516.28
    1,2-dichloroethane 1051.05
    n-hexanol 598.41
    2-methoxyethanol 1899.06
    isobutyl acetate 287.62
    tetrachloromethane 168.47
    n-pentyl acetate 230.88
    transcutol 4001.62
    n-heptanol 170.6
    ethylbenzene 214.39
    MIBK 448.75
    2-propoxyethanol 1106.58
    tert-butanol 1767.53
    MTBE 1137.06
    2-butoxyethanol 413.45
    propionic acid 631.44
    o-xylene 240.47
    formic acid 218.88
    diethyl ether 1178.84
    m-xylene 297.79
    p-xylene 246.55
    chlorobenzene 472.08
    dimethyl carbonate 239.75
    n-octane 5.68
    formamide 511.3
    cyclopentanone 884.92
    2-pentanone 861.05
    anisole 617.09
    cyclopentyl methyl ether 756.6
    gamma-butyrolactone 946.24
    1-methoxy-2-propanol 1572.39
    pyridine 1261.72
    3-pentanone 510.37
    furfural 874.17
    n-dodecane 5.57
    diethylene glycol 718.0
    diisopropyl ether 202.46
    tert-amyl alcohol 1143.67
    acetylacetone 795.35
    n-hexadecane 6.72
    acetophenone 408.95
    methyl propionate 758.96
    isopentyl acetate 478.86
    trichloroethylene 1977.87
    n-nonanol 144.62
    cyclohexanol 718.77
    benzyl alcohol 526.53
    2-ethylhexanol 243.81
    isooctanol 141.75
    dipropyl ether 246.12
    1,2-dichlorobenzene 380.77
    ethyl lactate 230.88
    propylene carbonate 521.31
    n-methylformamide 683.14
    2-pentanol 796.39
    n-pentane 32.14
    1-propoxy-2-propanol 709.96
    1-methoxy-2-propyl acetate 704.9
    2-(2-methoxypropoxy) propanol 505.32
    mesitylene 143.01
    ε-caprolactone 831.11
    p-cymene 92.67
    epichlorohydrin 1683.98
    1,1,1-trichloroethane 894.31
    2-aminoethanol 696.36
    morpholine-4-carbaldehyde 1129.06
    sulfolane 717.0
    2,2,4-trimethylpentane 23.39
    2-methyltetrahydrofuran 1526.72
    n-hexyl acetate 359.9
    isooctane 20.84
    2-(2-butoxyethoxy)ethanol 814.49
    sec-butyl acetate 384.34
    tert-butyl acetate 622.38
    decalin 31.88
    glycerin 524.58
    diglyme 1340.07
    acrylic acid 368.43
    isopropyl myristate 127.74
    n-butyric acid 982.12
    acetyl acetate 530.53
    di(2-ethylhexyl) phthalate 144.88
    ethyl propionate 433.7
    nitromethane 1043.76
    1,2-diethoxyethane 978.84
    benzonitrile 529.15
    trioctyl phosphate 84.38
    1-bromopropane 611.0
    gamma-valerolactone 1381.28
    n-decanol 106.66
    triethyl phosphate 137.74
    4-methyl-2-pentanol 347.44
    propionitrile 779.18
    vinylene carbonate 463.64
    1,1,2-trichlorotrifluoroethane 851.82
    DMS 336.73
    cumene 130.11
    2-octanol 114.24
    2-hexanone 496.06
    octyl acetate 162.12
    limonene 137.05
    1,2-dimethoxyethane 1329.55
    ethyl orthosilicate 139.84
    tributyl phosphate 123.52
    diacetone alcohol 745.07
    N,N-dimethylaniline 300.41
    acrylonitrile 797.72
    aniline 854.75
    1,3-propanediol 1014.54
    bromobenzene 456.16
    dibromomethane 1143.66
    1,1,2,2-tetrachloroethane 1610.16
    2-methyl-cyclohexyl acetate 247.06
    tetrabutyl urea 144.4
    diisobutyl methanol 131.72
    2-phenylethanol 431.98
    styrene 285.27
    dioctyl adipate 203.94
    dimethyl sulfate 294.82
    ethyl butyrate 343.97
    methyl lactate 346.71
    butyl lactate 230.91
    diethyl carbonate 230.57
    propanediol butyl ether 520.84
    triethyl orthoformate 220.85
    p-tert-butyltoluene 96.36
    methyl 4-tert-butylbenzoate 283.26
    morpholine 3381.84
    tert-butylamine 919.35
    n-dodecanol 77.65
    dimethoxymethane 886.45
    ethylene carbonate 416.97
    cyrene 340.11
    2-ethoxyethyl acetate 490.77
    2-ethylhexyl acetate 327.52
    1,2,4-trichlorobenzene 500.26
    4-methylpyridine 1289.45
    dibutyl ether 224.35
    2,6-dimethyl-4-heptanol 131.72
    DEF 763.61
    dimethyl isosorbide 682.89
    tetrachloroethylene 783.72
    eugenol 308.04
    triacetin 400.66
    span 80 380.64
    1,4-butanediol 344.83
    1,1-dichloroethane 1237.7
    2-methyl-1-pentanol 578.7
    methyl formate 371.4
    2-methyl-1-butanol 803.32
    n-decane 10.01
    butyronitrile 863.53
    3,7-dimethyl-1-octanol 222.18
    1-chlorooctane 76.52
    1-chlorotetradecane 28.08
    n-nonane 8.59
    undecane 7.24
    tert-butylcyclohexane 33.96
    cyclooctane 14.37
    cyclopentanol 654.88
    tetrahydropyran 1967.05
    tert-amyl methyl ether 603.72
    2,5,8-trioxanonane 874.73
    1-hexene 214.31
    2-isopropoxyethanol 741.67
    2,2,2-trifluoroethanol 159.17
    methyl butyrate 542.31

    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
Alpinia chinensis (China) Alpinia chinensis Rosc., fam. Zingiberaceae 1.2%
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 1.7%
Hortensis leaf Euodia hortensis forma hortensis, fam. Saxifragaceae (Hydrangea) 6.0%
Perilla acuta 68132-21-8 Perilla acuta (Thunb.) Nakai & P. acuta Nakai forma viridis (Makino) Nakai 2.75%
Naoshichi (Japan) Citrus taguma-sudachi Hort. ex Tanaka, fam. Rutaceae 0.02%
Lime (Persian) (Japan) Citrus latifolia Tanaka, fam. Rutaceae 0.02%
Sudachi peel (Japan) Citrus sudachi Hort. ex Shirai, fam. Rutaceae 0.01%
Wormwood (Mugwort) (Cuba) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.2%
Aristolochia brevipes Aristolochia brevipes Benth., fam. Aristolochiaceae 0.01%
Myrtle leaf (Turkey) 2 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Daidai (Japan) Citrus aurantium L., cultivar cyathifera Y. Tanaka, fam. Rutaceae 0.01%
Limnophila chinensis, aromatica Limnophila chinensis (Osb.) Merrill ssp. aromatica (Lam.) Yamazaki 0.93%
Cnidium officinale (Korea) Cnidium officinale Makino, fam. Apiaceae (Umbelliferae) 0.5%