3-Tolyl phenylacetate

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  • Identifiers

    CAS number
    122-27-0

    Molecular formula
    C15H14O2

    SMILES
    CC1=CC(=CC=C1)OC(=O)CC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 86.63%
    Honey 75.83%
    Rose 63.49%
    Animal 50.14%
    Phenolic 43.79%
    Balsamic 43.72%
    Sweet 41.01%
    Powdery 39.96%
    Lily 30.33%
    Aromatic 29.94%

     

    Flavor
    Sweet 79.13%
    Floral 61.97%
    Honey 53.54%
    Balsam 47.57%
    Rose 38.51%
    Waxy 37.23%
    Balsamic 30.54%
    Chocolate 30.21%
    Flower 29.11%
    Powdery 27.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.2 (weak base)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point

    • 149.52 ˚C est.

  • Synonyms

    • m-Cresyl phenylacetate
    • 122-27-0
    • m-Tolyl phenylacetate
    • Benzeneacetic acid, 3-methylphenyl ester
    • (3-methylphenyl) 2-phenylacetate
    • Phenylacetic acid, m-tolyl ester
    • 3-Tolyl phenylacetate
    • m-Cresyl alpha-toluate
    • m-Cresyl .alpha.-toluate
    • 96RS9TI44Q
    • NSC-5980
    • EINECS 204-531-0
    • Acetic acid, phenyl-, m-tolyl ester
    • NSC-46149
    • NSC 164907
    • NSC-164907
    • AI3-17242
    • CRESYL PHENYLACETATE, M-
    • DTXSID0059538
    • Phenylacetic acid, 3-methylphenyl ester
    • PHENYLACETIC ACID M-TOLYL ESTER
    • meta-Tolyl phenylacetate
    • m-tolyl 2-phenylacetate
    • meta-cresyl phenyl acetate
    • UNII-96RS9TI44Q
    • SCHEMBL1640435
    • DTXCID3033725
    • NSC5980
    • NSC46149
    • NSC164907
    • DB-041655
    • Acetic acid, phenyl-, m-tolyl ester (8CI)
    • NS00012136
    • 204-531-0

  • Applications

    3-Tolyl phenylacetate (CAS 122-27-0) is primarily used as a fragrance ingredient and fixative in perfumery and cosmetics; it also serves as an intermediate in the synthesis of other aromatic compounds in the chemical industry; it is employed in household and cleaning products to impart fragrance, and can be used as a fragrance additive in coatings/inks and other industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 292.73
    methanol 350.42
    isopropanol 133.3
    water 0.12
    ethyl acetate 347.86
    n-propanol 190.38
    acetone 485.31
    n-butanol 153.84
    acetonitrile 332.88
    DMF 687.16
    toluene 71.44
    isobutanol 105.46
    1,4-dioxane 729.25
    methyl acetate 309.69
    THF 835.92
    2-butanone 319.62
    n-pentanol 113.51
    sec-butanol 110.55
    n-hexane 5.75
    ethylene glycol 44.92
    NMP 348.19
    cyclohexane 11.31
    DMSO 896.91
    n-butyl acetate 189.93
    n-octanol 44.52
    chloroform 672.49
    n-propyl acetate 159.19
    acetic acid 239.45
    dichloromethane 643.54
    cyclohexanone 355.45
    propylene glycol 92.62
    isopropyl acetate 150.65
    DMAc 519.59
    2-ethoxyethanol 203.4
    isopentanol 111.01
    n-heptane 7.18
    ethyl formate 170.07
    1,2-dichloroethane 532.08
    n-hexanol 116.26
    2-methoxyethanol 439.38
    isobutyl acetate 102.4
    tetrachloromethane 18.17
    n-pentyl acetate 72.56
    transcutol 1075.33
    n-heptanol 44.37
    ethylbenzene 50.55
    MIBK 135.79
    2-propoxyethanol 268.81
    tert-butanol 138.89
    MTBE 128.88
    2-butoxyethanol 117.07
    propionic acid 157.01
    o-xylene 41.09
    formic acid 62.76
    diethyl ether 238.65
    m-xylene 45.49
    p-xylene 63.05
    chlorobenzene 167.14
    dimethyl carbonate 155.31
    n-octane 3.43
    formamide 160.36
    cyclopentanone 484.89
    2-pentanone 237.71
    anisole 210.53
    cyclopentyl methyl ether 207.11
    gamma-butyrolactone 515.98
    1-methoxy-2-propanol 320.87
    pyridine 368.73
    3-pentanone 182.36
    furfural 392.71
    n-dodecane 5.3
    diethylene glycol 208.8
    diisopropyl ether 44.29
    tert-amyl alcohol 98.42
    acetylacetone 336.93
    n-hexadecane 6.12
    acetophenone 160.93
    methyl propionate 258.28
    isopentyl acetate 153.45
    trichloroethylene 761.97
    n-nonanol 46.09
    cyclohexanol 104.95
    benzyl alcohol 133.4
    2-ethylhexanol 68.71
    isooctanol 38.67
    dipropyl ether 109.02
    1,2-dichlorobenzene 155.99
    ethyl lactate 87.94
    propylene carbonate 278.82
    n-methylformamide 240.83
    2-pentanol 78.08
    n-pentane 3.34
    1-propoxy-2-propanol 173.65
    1-methoxy-2-propyl acetate 217.26
    2-(2-methoxypropoxy) propanol 174.92
    mesitylene 29.17
    ε-caprolactone 267.15
    p-cymene 34.94
    epichlorohydrin 723.13
    1,1,1-trichloroethane 228.06
    2-aminoethanol 120.04
    morpholine-4-carbaldehyde 422.09
    sulfolane 505.88
    2,2,4-trimethylpentane 4.67
    2-methyltetrahydrofuran 356.38
    n-hexyl acetate 117.71
    isooctane 4.3
    2-(2-butoxyethoxy)ethanol 249.24
    sec-butyl acetate 105.64
    tert-butyl acetate 150.66
    decalin 11.09
    glycerin 113.33
    diglyme 481.09
    acrylic acid 134.28
    isopropyl myristate 58.81
    n-butyric acid 218.99
    acetyl acetate 202.55
    di(2-ethylhexyl) phthalate 58.81
    ethyl propionate 153.45
    nitromethane 564.99
    1,2-diethoxyethane 277.21
    benzonitrile 161.35
    trioctyl phosphate 38.29
    1-bromopropane 181.95
    gamma-valerolactone 528.81
    n-decanol 37.77
    triethyl phosphate 75.0
    4-methyl-2-pentanol 53.11
    propionitrile 205.74
    vinylene carbonate 239.88
    1,1,2-trichlorotrifluoroethane 304.78
    DMS 166.44
    cumene 37.42
    2-octanol 27.18
    2-hexanone 164.04
    octyl acetate 70.64
    limonene 49.22
    1,2-dimethoxyethane 430.92
    ethyl orthosilicate 67.17
    tributyl phosphate 55.9
    diacetone alcohol 185.14
    N,N-dimethylaniline 104.85
    acrylonitrile 276.06
    aniline 126.55
    1,3-propanediol 171.11
    bromobenzene 156.19
    dibromomethane 361.97
    1,1,2,2-tetrachloroethane 628.56
    2-methyl-cyclohexyl acetate 106.47
    tetrabutyl urea 75.06
    diisobutyl methanol 43.04
    2-phenylethanol 119.5
    styrene 73.72
    dioctyl adipate 103.56
    dimethyl sulfate 209.66
    ethyl butyrate 141.34
    methyl lactate 131.87
    butyl lactate 77.24
    diethyl carbonate 113.44
    propanediol butyl ether 110.29
    triethyl orthoformate 97.05
    p-tert-butyltoluene 33.94
    methyl 4-tert-butylbenzoate 124.41
    morpholine 671.49
    tert-butylamine 67.69
    n-dodecanol 31.37
    dimethoxymethane 472.68
    ethylene carbonate 200.74
    cyrene 138.49
    2-ethoxyethyl acetate 145.42
    2-ethylhexyl acetate 114.23
    1,2,4-trichlorobenzene 180.77
    4-methylpyridine 260.69
    dibutyl ether 91.49
    2,6-dimethyl-4-heptanol 43.04
    DEF 229.28
    dimethyl isosorbide 290.73
    tetrachloroethylene 253.53
    eugenol 125.58
    triacetin 161.09
    span 80 123.75
    1,4-butanediol 56.67
    1,1-dichloroethane 327.96
    2-methyl-1-pentanol 99.76
    methyl formate 200.68
    2-methyl-1-butanol 98.29
    n-decane 7.21
    butyronitrile 191.83
    3,7-dimethyl-1-octanol 59.38
    1-chlorooctane 37.16
    1-chlorotetradecane 19.55
    n-nonane 5.92
    undecane 6.09
    tert-butylcyclohexane 10.32
    cyclooctane 3.02
    cyclopentanol 120.92
    tetrahydropyran 483.85
    tert-amyl methyl ether 94.28
    2,5,8-trioxanonane 350.05
    1-hexene 48.79
    2-isopropoxyethanol 133.81
    2,2,2-trifluoroethanol 61.8
    methyl butyrate 196.51

    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