p-Methylbenzyl acetate

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  • Identifiers

    CAS number
    2216-45-7

    Molecular formula
    C10H12O2

    SMILES
    CC1=CC=C(C=C1)COC(=O)C

  • Odor profile

    Fragrance
    Fruity 96.24%
    Sweet 92.35%
    Floral 87.33%
    Cherry 64.17%
    Green 45.75%
    Anisic 41.87%
    Fresh 41.69%
    Jasmin 40.4%
    Balsamic 39.0%
    Almond 37.93%

     

    Flavor
    Sweet 90.95%
    Fruity 85.63%
    Floral 68.09%
    Cherry 58.85%
    Balsam 51.21%
    Bitter 50.84%
    Plum 42.55%
    Powdery 42.28%
    Raspberry 41.56%
    Almond 38.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.99 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 224.00 to 225.00 °C. @ 760.00 mm Hg

    Flash point

    • 100.66 ˚C est.

  • Synonyms

    • 4-Methylbenzyl acetate
    • 2216-45-7
    • p-Methylbenzyl acetate
    • p-Xylyl acetate
    • p-Tolubenzyl acetate
    • (4-methylphenyl)methyl acetate
    • 4-Methylbenzyl ethanoate
    • p-Acetoxymethyltoluene
    • Benzenemethanol, 4-methyl-, acetate
    • p-Methylbenzyl alcohol acetate
    • p-Xylene, alpha-acetoxy
    • 4-Methylbenzenemethanol acetate
    • NSC 7001
    • Benzyl alcohol, p-methyl-, acetate
    • Benzenemethanol, 4-methyl-, 1-acetate
    • EINECS 218-689-3
    • 4-Methylbenzyl alcohol acetate
    • BRN 2046163
    • TA0024O8DI
    • AI3-20661
    • NSC-7001
    • MFCD00017234
    • p-Xylene, .alpha.-acetoxy
    • DTXSID5051866
    • FEMA NO. 3702, P-
    • 4-Methylbenzylacetate
    • UNII-TA0024O8DI
    • SCHEMBL873414
    • Benzyl alcohol, p-methyl-, acetate (6CI,7CI,8CI)
    • DTXCID8030425
    • NSC7001
    • CHEBI:180400
    • AKOS015888410
    • CS-W010834
    • FM71292
    • AS-57722
    • SY316272
    • DB-045825
    • NS00012853
    • D97438
    • Q27289858
    • 218-689-3

  • Applications

    p-Methylbenzyl acetate (CAS 2216-45-7) is an aroma chemical primarily used as a fragrance ingredient in perfumery and flavor formulations, imparting light floral and green notes. It is commonly employed as a flavor ingredient to contribute fruity/floral character in foods and beverages, and in cosmetics and personal care products it appears in scented formulations. In household products and cleaners it is used to provide a pleasant aroma, and in industrial manufacturing it often serves as an intermediate for the synthesis of other fragrance compounds and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 969.49
    methanol 775.04
    isopropanol 741.66
    water 4.54
    ethyl acetate 701.64
    n-propanol 590.0
    acetone 1017.66
    n-butanol 443.49
    acetonitrile 813.28
    DMF 1275.5
    toluene 109.99
    isobutanol 406.71
    1,4-dioxane 1067.64
    methyl acetate 883.97
    THF 730.1
    2-butanone 751.79
    n-pentanol 301.22
    sec-butanol 523.86
    n-hexane 15.76
    ethylene glycol 314.25
    NMP 436.2
    cyclohexane 11.79
    DMSO 870.62
    n-butyl acetate 232.15
    n-octanol 121.43
    chloroform 1062.87
    n-propyl acetate 279.43
    acetic acid 560.21
    dichloromethane 880.91
    cyclohexanone 449.56
    propylene glycol 639.62
    isopropyl acetate 309.77
    DMAc 1011.24
    2-ethoxyethanol 646.49
    isopentanol 340.67
    n-heptane 10.91
    ethyl formate 334.78
    1,2-dichloroethane 525.63
    n-hexanol 251.19
    2-methoxyethanol 1053.8
    isobutyl acetate 172.43
    tetrachloromethane 70.98
    n-pentyl acetate 114.52
    transcutol 1285.4
    n-heptanol 106.83
    ethylbenzene 95.97
    MIBK 234.44
    2-propoxyethanol 537.15
    tert-butanol 831.27
    MTBE 479.68
    2-butoxyethanol 232.0
    propionic acid 534.95
    o-xylene 95.33
    formic acid 243.39
    diethyl ether 389.37
    m-xylene 94.79
    p-xylene 135.51
    chlorobenzene 181.4
    dimethyl carbonate 247.93
    n-octane 8.18
    formamide 517.72
    cyclopentanone 558.73
    2-pentanone 418.16
    anisole 360.52
    cyclopentyl methyl ether 251.38
    gamma-butyrolactone 627.64
    1-methoxy-2-propanol 813.93
    pyridine 442.72
    3-pentanone 332.11
    furfural 550.4
    n-dodecane 10.06
    diethylene glycol 482.71
    diisopropyl ether 82.98
    tert-amyl alcohol 554.75
    acetylacetone 497.0
    n-hexadecane 10.94
    acetophenone 266.87
    methyl propionate 550.15
    isopentyl acetate 213.87
    trichloroethylene 980.34
    n-nonanol 107.82
    cyclohexanol 254.06
    benzyl alcohol 262.44
    2-ethylhexanol 136.18
    isooctanol 91.02
    dipropyl ether 128.4
    1,2-dichlorobenzene 178.48
    ethyl lactate 178.42
    propylene carbonate 336.77
    n-methylformamide 617.11
    2-pentanol 286.74
    n-pentane 9.81
    1-propoxy-2-propanol 330.0
    1-methoxy-2-propyl acetate 308.64
    2-(2-methoxypropoxy) propanol 286.27
    mesitylene 55.66
    ε-caprolactone 392.49
    p-cymene 52.89
    epichlorohydrin 833.22
    1,1,1-trichloroethane 460.75
    2-aminoethanol 595.88
    morpholine-4-carbaldehyde 737.58
    sulfolane 530.35
    2,2,4-trimethylpentane 13.31
    2-methyltetrahydrofuran 496.96
    n-hexyl acetate 209.05
    isooctane 10.79
    2-(2-butoxyethoxy)ethanol 381.59
    sec-butyl acetate 198.83
    tert-butyl acetate 305.86
    decalin 18.67
    glycerin 528.53
    diglyme 646.7
    acrylic acid 409.71
    isopropyl myristate 91.74
    n-butyric acid 506.1
    acetyl acetate 321.19
    di(2-ethylhexyl) phthalate 90.93
    ethyl propionate 271.36
    nitromethane 1107.52
    1,2-diethoxyethane 342.59
    benzonitrile 230.85
    trioctyl phosphate 61.01
    1-bromopropane 241.43
    gamma-valerolactone 828.32
    n-decanol 87.13
    triethyl phosphate 96.0
    4-methyl-2-pentanol 155.95
    propionitrile 470.94
    vinylene carbonate 336.9
    1,1,2-trichlorotrifluoroethane 597.55
    DMS 257.38
    cumene 75.83
    2-octanol 78.34
    2-hexanone 266.79
    octyl acetate 117.64
    limonene 70.79
    1,2-dimethoxyethane 768.24
    ethyl orthosilicate 90.29
    tributyl phosphate 84.83
    diacetone alcohol 443.64
    N,N-dimethylaniline 202.06
    acrylonitrile 558.06
    aniline 259.15
    1,3-propanediol 594.43
    bromobenzene 170.83
    dibromomethane 479.15
    1,1,2,2-tetrachloroethane 794.77
    2-methyl-cyclohexyl acetate 153.11
    tetrabutyl urea 108.69
    diisobutyl methanol 79.34
    2-phenylethanol 213.14
    styrene 124.27
    dioctyl adipate 138.52
    dimethyl sulfate 343.48
    ethyl butyrate 182.82
    methyl lactate 301.35
    butyl lactate 123.36
    diethyl carbonate 145.64
    propanediol butyl ether 269.41
    triethyl orthoformate 126.58
    p-tert-butyltoluene 53.61
    methyl 4-tert-butylbenzoate 204.94
    morpholine 1128.5
    tert-butylamine 371.94
    n-dodecanol 68.45
    dimethoxymethane 602.85
    ethylene carbonate 273.89
    cyrene 239.28
    2-ethoxyethyl acetate 237.02
    2-ethylhexyl acetate 158.62
    1,2,4-trichlorobenzene 227.03
    4-methylpyridine 437.01
    dibutyl ether 138.68
    2,6-dimethyl-4-heptanol 79.34
    DEF 436.94
    dimethyl isosorbide 383.84
    tetrachloroethylene 387.04
    eugenol 222.57
    triacetin 261.44
    span 80 211.47
    1,4-butanediol 247.41
    1,1-dichloroethane 637.23
    2-methyl-1-pentanol 249.04
    methyl formate 446.24
    2-methyl-1-butanol 333.74
    n-decane 14.85
    butyronitrile 367.83
    3,7-dimethyl-1-octanol 129.19
    1-chlorooctane 68.06
    1-chlorotetradecane 31.48
    n-nonane 13.71
    undecane 11.88
    tert-butylcyclohexane 24.45
    cyclooctane 4.72
    cyclopentanol 278.92
    tetrahydropyran 532.21
    tert-amyl methyl ether 288.78
    2,5,8-trioxanonane 487.49
    1-hexene 102.14
    2-isopropoxyethanol 422.1
    2,2,2-trifluoroethanol 226.11
    methyl butyrate 334.46

    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