p-CRESYL PHENYLACETATE

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  • Identifiers

    CAS number
    101-94-0

    Molecular formula
    C15H14O2

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

  • Odor profile

    Floral 84.85%
    Honey 75.34%
    Rose 64.98%
    Animal 51.44%
    Balsamic 46.62%
    Phenolic 45.89%
    Sweet 39.27%
    Powdery 37.46%
    Hyacinth 33.77%
    Green 31.22%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.32 (weak base)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 76 °C

    Boiling point

    • 310.00 °C. @ 760.00 mm Hg

    Flash point est.
    157.55 ˚C

    Solubility expt.

    • insoluble in water
    • moderately soluble (in ethanol)

  • Synonyms

    • p-Tolyl phenylacetate
    • 101-94-0
    • p-Cresyl phenylacetate
    • BENZENEACETIC ACID, 4-METHYLPHENYL ESTER
    • p-tolyl 2-phenylacetate
    • Phenylacetic acid, p-tolyl ester
    • Acetic acid, phenyl-, p-tolyl ester
    • (4-methylphenyl) 2-phenylacetate
    • 4-methylphenyl 2-phenylacetate
    • Phenylacetic acid p-cresyl ester
    • 4-Methylphenyl benzeneacetate
    • FEMA No. 3077
    • Cresyl phenylacetate, p-
    • Tolyl alpha-toluate, p-
    • Cresyl alpha-toluate, p-
    • NSC 5981
    • Methylphenyl phenylacetate, p-
    • Methylphenyl alpha-toluate, p-
    • EINECS 202-990-1
    • 959IBY0PDG
    • p-Tolyl alpha-toluate
    • AI3-17243
    • p-Cresyl alpha-toluate
    • NSC-5981
    • p-Tolyl .alpha.-toluate
    • MFCD00025983
    • p-Cresyl .alpha.-toluate
    • 4-Methylphenyl phenylacetate
    • P-CRESYL PHENYL ACETATE
    • DTXSID7051509
    • P-CRESYL PHENYLACETATE [MI]
    • P-TOLYL PHENYLACETATE [FHFI]
    • Acetic acid, phenyl-, p-tolyl ester (6CI,7CI,8CI)
    • UNII-959IBY0PDG
    • P-Tolyl alpha -toluate
    • P-Cresyl alpha -toluate
    • p-Methylphenyl phenylacetate
    • p-Methylphenyl alpha-toluate
    • SCHEMBL789755
    • DTXCID8030057
    • p-Tolyl phenylacetate, >=99%
    • Phenylacetic Acid p-Tolyl Ester
    • FEMA 3077
    • NSC5981
    • CHEBI:174170
    • AKOS015904156
    • FP32123
    • SY053154
    • CS-0153051
    • NS00012137
    • D89316
    • Q27271768
    • 202-990-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 148.43
    methanol 182.17
    isopropanol 57.5
    water 0.07
    ethyl acetate 228.61
    n-propanol 108.41
    acetone 211.97
    n-butanol 75.04
    acetonitrile 221.51
    DMF 439.29
    toluene 56.7
    isobutanol 48.95
    1,4-dioxane 448.3
    methyl acetate 243.67
    THF 407.57
    2-butanone 231.12
    n-pentanol 64.29
    sec-butanol 61.19
    n-hexane 2.9
    ethylene glycol 31.71
    NMP 182.82
    cyclohexane 3.41
    DMSO 514.56
    n-butyl acetate 132.62
    n-octanol 21.21
    chloroform 558.62
    n-propyl acetate 109.89
    acetic acid 121.86
    dichloromethane 455.62
    cyclohexanone 184.06
    propylene glycol 56.71
    isopropyl acetate 104.42
    DMAc 536.51
    2-ethoxyethanol 181.78
    isopentanol 60.59
    n-heptane 2.55
    ethyl formate 94.77
    1,2-dichloroethane 415.07
    n-hexanol 64.48
    2-methoxyethanol 285.14
    isobutyl acetate 73.91
    tetrachloromethane 13.73
    n-pentyl acetate 43.46
    transcutol 876.17
    n-heptanol 23.64
    ethylbenzene 47.37
    MIBK 89.38
    2-propoxyethanol 191.76
    tert-butanol 70.97
    MTBE 93.22
    2-butoxyethanol 79.74
    propionic acid 100.18
    o-xylene 34.88
    formic acid 45.22
    diethyl ether 145.15
    m-xylene 32.65
    p-xylene 52.67
    chlorobenzene 128.55
    dimethyl carbonate 113.33
    n-octane 1.19
    formamide 120.55
    cyclopentanone 245.02
    2-pentanone 139.11
    anisole 192.36
    cyclopentyl methyl ether 101.36
    gamma-butyrolactone 257.57
    1-methoxy-2-propanol 199.74
    pyridine 295.63
    3-pentanone 131.33
    furfural 261.05
    n-dodecane 1.84
    diethylene glycol 156.43
    diisopropyl ether 27.4
    tert-amyl alcohol 62.76
    acetylacetone 236.49
    n-hexadecane 2.16
    acetophenone 137.92
    methyl propionate 193.13
    isopentyl acetate 116.5
    trichloroethylene 677.64
    n-nonanol 22.85
    cyclohexanol 42.71
    benzyl alcohol 105.6
    2-ethylhexanol 41.79
    isooctanol 22.12
    dipropyl ether 65.87
    1,2-dichlorobenzene 129.48
    ethyl lactate 60.58
    propylene carbonate 144.93
    n-methylformamide 161.38
    2-pentanol 38.44
    n-pentane 1.41
    1-propoxy-2-propanol 118.18
    1-methoxy-2-propyl acetate 173.68
    2-(2-methoxypropoxy) propanol 137.4
    mesitylene 20.21
    ε-caprolactone 153.11
    p-cymene 24.83
    epichlorohydrin 501.67
    1,1,1-trichloroethane 163.94
    2-aminoethanol 83.36
    morpholine-4-carbaldehyde 293.98
    sulfolane 273.48
    2,2,4-trimethylpentane 2.71
    2-methyltetrahydrofuran 177.04
    n-hexyl acetate 70.96
    isooctane 2.29
    2-(2-butoxyethoxy)ethanol 188.92
    sec-butyl acetate 83.24
    tert-butyl acetate 112.52
    decalin 6.36
    glycerin 83.62
    diglyme 383.66
    acrylic acid 93.97
    isopropyl myristate 34.44
    n-butyric acid 108.15
    acetyl acetate 134.95
    di(2-ethylhexyl) phthalate 40.96
    ethyl propionate 118.31
    nitromethane 379.12
    1,2-diethoxyethane 217.3
    benzonitrile 113.98
    trioctyl phosphate 22.46
    1-bromopropane 129.8
    gamma-valerolactone 334.04
    n-decanol 18.63
    triethyl phosphate 54.05
    4-methyl-2-pentanol 30.02
    propionitrile 142.86
    vinylene carbonate 141.2
    1,1,2-trichlorotrifluoroethane 248.5
    DMS 130.26
    cumene 29.85
    2-octanol 13.5
    2-hexanone 114.18
    octyl acetate 41.24
    limonene 31.05
    1,2-dimethoxyethane 333.14
    ethyl orthosilicate 48.27
    tributyl phosphate 35.87
    diacetone alcohol 134.99
    N,N-dimethylaniline 91.08
    acrylonitrile 213.35
    aniline 93.65
    1,3-propanediol 105.09
    bromobenzene 128.14
    dibromomethane 258.16
    1,1,2,2-tetrachloroethane 544.95
    2-methyl-cyclohexyl acetate 74.87
    tetrabutyl urea 48.75
    diisobutyl methanol 25.9
    2-phenylethanol 89.77
    styrene 69.19
    dioctyl adipate 64.32
    dimethyl sulfate 161.82
    ethyl butyrate 99.55
    methyl lactate 92.67
    butyl lactate 50.2
    diethyl carbonate 82.68
    propanediol butyl ether 73.23
    triethyl orthoformate 69.34
    p-tert-butyltoluene 23.76
    methyl 4-tert-butylbenzoate 90.91
    morpholine 427.09
    tert-butylamine 34.56
    n-dodecanol 15.18
    dimethoxymethane 307.47
    ethylene carbonate 112.57
    cyrene 99.02
    2-ethoxyethyl acetate 112.7
    2-ethylhexyl acetate 88.61
    1,2,4-trichlorobenzene 151.99
    4-methylpyridine 194.07
    dibutyl ether 52.44
    2,6-dimethyl-4-heptanol 25.9
    DEF 168.51
    dimethyl isosorbide 221.21
    tetrachloroethylene 225.2
    eugenol 97.36
    triacetin 111.42
    span 80 80.87
    1,4-butanediol 37.98
    1,1-dichloroethane 235.07
    2-methyl-1-pentanol 65.22
    methyl formate 108.8
    2-methyl-1-butanol 57.18
    n-decane 2.55
    butyronitrile 107.23
    3,7-dimethyl-1-octanol 34.61
    1-chlorooctane 17.54
    1-chlorotetradecane 8.95
    n-nonane 2.04
    undecane 2.09
    tert-butylcyclohexane 6.02
    cyclooctane 1.12
    cyclopentanol 44.85
    tetrahydropyran 229.23
    tert-amyl methyl ether 73.47
    2,5,8-trioxanonane 277.57
    1-hexene 29.69
    2-isopropoxyethanol 112.35
    2,2,2-trifluoroethanol 38.38
    methyl butyrate 137.53

    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