p-Cresol benzoate

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  • Identifiers

    CAS number
    614-34-6

    Molecular formula
    C14H12O2

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

  • Odor profile

    Floral 79.36%
    Balsamic 54.07%
    Phenolic 50.12%
    Animal 44.78%
    Honey 40.64%
    Rose 39.92%
    Fruity 38.65%
    Aromatic 35.3%
    Herbal 35.07%
    Metallic 34.66%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    7.95 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point est.
    143.29 ˚C

  • Synonyms

    • p-Tolyl benzoate
    • 4-Methylphenyl benzoate
    • 614-34-6
    • p-Cresol benzoate
    • p-Cresyl benzoate
    • Benzoic acid, 4-methylphenyl ester
    • 4-Cresyl benzoate
    • (4-methylphenyl) benzoate
    • BENZOIC ACID, p-TOLYL ESTER
    • p-Methylphenyl benzoate
    • TRF6AI5R4X
    • NSC 8788
    • EINECS 210-380-1
    • NSC 137593
    • BRN 1873141
    • AI3-01805
    • NSC-8788
    • NSC-137593
    • 4-09-00-00306 (Beilstein Handbook Reference)
    • DTXSID6060632
    • 4-benzoyloxytoluene
    • para-cresyl benzoate
    • UNII-TRF6AI5R4X
    • NCIStruc1_001423
    • NCIStruc2_001966
    • Benzoic acid, 4-tolyl ester
    • 4-Methylphenyl benzoate, 99%
    • SCHEMBL1546372
    • CHEMBL2260449
    • DTXCID8043024
    • NSC8788
    • MFCD00025982
    • NSC137593
    • AKOS003495972
    • BENZOIC ACID 4-METHYLPHENYL ESTER
    • DB-053886
    • NS00012125
    • G77485
    • 210-380-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 270.52
    methanol 280.78
    isopropanol 107.13
    water 0.04
    ethyl acetate 636.42
    n-propanol 238.3
    acetone 210.92
    n-butanol 200.68
    acetonitrile 476.09
    DMF 480.69
    toluene 311.46
    isobutanol 124.84
    1,4-dioxane 552.37
    methyl acetate 572.65
    THF 460.87
    2-butanone 624.68
    n-pentanol 142.14
    sec-butanol 209.35
    n-hexane 7.55
    ethylene glycol 20.9
    NMP 193.21
    cyclohexane 9.25
    DMSO 293.49
    n-butyl acetate 375.87
    n-octanol 60.74
    chloroform 931.92
    n-propyl acetate 315.37
    acetic acid 162.7
    dichloromethane 885.49
    cyclohexanone 402.65
    propylene glycol 56.98
    isopropyl acetate 268.92
    DMAc 764.11
    2-ethoxyethanol 256.52
    isopentanol 165.1
    n-heptane 5.62
    ethyl formate 195.5
    1,2-dichloroethane 830.62
    n-hexanol 150.2
    2-methoxyethanol 402.54
    isobutyl acetate 186.76
    tetrachloromethane 21.85
    n-pentyl acetate 131.77
    transcutol 1551.33
    n-heptanol 58.83
    ethylbenzene 201.32
    MIBK 226.43
    2-propoxyethanol 306.76
    tert-butanol 126.71
    MTBE 270.15
    2-butoxyethanol 165.75
    propionic acid 161.44
    o-xylene 135.78
    formic acid 45.08
    diethyl ether 406.73
    m-xylene 127.21
    p-xylene 171.23
    chlorobenzene 341.36
    dimethyl carbonate 160.45
    n-octane 3.56
    formamide 176.58
    cyclopentanone 336.26
    2-pentanone 348.61
    anisole 502.92
    cyclopentyl methyl ether 185.9
    gamma-butyrolactone 372.31
    1-methoxy-2-propanol 320.76
    pyridine 926.96
    3-pentanone 337.33
    furfural 446.9
    n-dodecane 4.84
    diethylene glycol 163.5
    diisopropyl ether 70.85
    tert-amyl alcohol 193.7
    acetylacetone 360.34
    n-hexadecane 5.8
    acetophenone 355.7
    methyl propionate 434.46
    isopentyl acetate 313.06
    trichloroethylene 1512.09
    n-nonanol 61.85
    cyclohexanol 115.48
    benzyl alcohol 232.08
    2-ethylhexanol 95.54
    isooctanol 55.05
    dipropyl ether 126.3
    1,2-dichlorobenzene 293.08
    ethyl lactate 102.77
    propylene carbonate 244.87
    n-methylformamide 255.84
    2-pentanol 123.63
    n-pentane 4.18
    1-propoxy-2-propanol 207.79
    1-methoxy-2-propyl acetate 329.35
    2-(2-methoxypropoxy) propanol 245.68
    mesitylene 61.15
    ε-caprolactone 380.65
    p-cymene 59.61
    epichlorohydrin 924.7
    1,1,1-trichloroethane 341.82
    2-aminoethanol 87.81
    morpholine-4-carbaldehyde 370.49
    sulfolane 273.1
    2,2,4-trimethylpentane 7.71
    2-methyltetrahydrofuran 354.06
    n-hexyl acetate 199.99
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 354.35
    sec-butyl acetate 249.38
    tert-butyl acetate 263.47
    decalin 16.5
    glycerin 66.56
    diglyme 724.83
    acrylic acid 137.79
    isopropyl myristate 83.73
    n-butyric acid 238.88
    acetyl acetate 255.12
    di(2-ethylhexyl) phthalate 67.95
    ethyl propionate 317.81
    nitromethane 488.68
    1,2-diethoxyethane 479.75
    benzonitrile 341.9
    trioctyl phosphate 41.98
    1-bromopropane 366.33
    gamma-valerolactone 506.04
    n-decanol 46.72
    triethyl phosphate 89.91
    4-methyl-2-pentanol 74.95
    propionitrile 423.84
    vinylene carbonate 275.96
    1,1,2-trichlorotrifluoroethane 337.75
    DMS 248.23
    cumene 89.05
    2-octanol 40.23
    2-hexanone 320.07
    octyl acetate 101.39
    limonene 73.8
    1,2-dimethoxyethane 565.32
    ethyl orthosilicate 81.75
    tributyl phosphate 70.92
    diacetone alcohol 259.04
    N,N-dimethylaniline 199.16
    acrylonitrile 578.26
    aniline 274.05
    1,3-propanediol 140.73
    bromobenzene 377.07
    dibromomethane 541.76
    1,1,2,2-tetrachloroethane 1096.47
    2-methyl-cyclohexyl acetate 152.54
    tetrabutyl urea 89.32
    diisobutyl methanol 56.81
    2-phenylethanol 213.39
    styrene 302.36
    dioctyl adipate 127.0
    dimethyl sulfate 165.06
    ethyl butyrate 246.9
    methyl lactate 126.48
    butyl lactate 111.88
    diethyl carbonate 177.38
    propanediol butyl ether 140.02
    triethyl orthoformate 134.87
    p-tert-butyltoluene 53.47
    methyl 4-tert-butylbenzoate 167.13
    morpholine 691.9
    tert-butylamine 72.69
    n-dodecanol 36.43
    dimethoxymethane 405.78
    ethylene carbonate 193.47
    cyrene 135.56
    2-ethoxyethyl acetate 273.18
    2-ethylhexyl acetate 237.11
    1,2,4-trichlorobenzene 314.47
    4-methylpyridine 716.04
    dibutyl ether 145.68
    2,6-dimethyl-4-heptanol 56.81
    DEF 481.39
    dimethyl isosorbide 337.1
    tetrachloroethylene 435.86
    eugenol 188.38
    triacetin 204.81
    span 80 144.91
    1,4-butanediol 43.37
    1,1-dichloroethane 507.07
    2-methyl-1-pentanol 164.8
    methyl formate 151.21
    2-methyl-1-butanol 189.48
    n-decane 6.94
    butyronitrile 335.51
    3,7-dimethyl-1-octanol 91.49
    1-chlorooctane 53.55
    1-chlorotetradecane 22.17
    n-nonane 5.68
    undecane 5.69
    tert-butylcyclohexane 15.44
    cyclooctane 3.51
    cyclopentanol 72.09
    tetrahydropyran 462.62
    tert-amyl methyl ether 243.4
    2,5,8-trioxanonane 461.42
    1-hexene 97.27
    2-isopropoxyethanol 181.15
    2,2,2-trifluoroethanol 43.28
    methyl butyrate 383.73

    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
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.17%