2-Cresyl benzoate

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  • Identifiers

    CAS number
    617-02-7

    Molecular formula
    C14H12O2

    SMILES
    CC1=CC=CC=C1OC(=O)C2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 63.59%
    Balsamic 57.69%
    Phenolic 50.71%
    Herbal 47.12%
    Fruity 42.81%
    Sweet 40.94%
    Aromatic 38.12%
    Animal 37.46%
    Honey 32.86%
    Medicinal 31.71%

     

    Flavor
    Sweet 70.63%
    Balsam 63.16%
    Herbal 53.1%
    Powdery 41.44%
    Balsamic 41.29%
    Floral 37.29%
    Wintergreen 36.95%
    Honey 36.16%
    Tobacco 35.35%
    Phenolic 34.84%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.66 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 138.4 ˚C est.

  • Synonyms

    • o-Tolyl benzoate
    • 617-02-7
    • 2-Methylphenyl benzoate
    • Benzoic acid, o-tolyl ester
    • Benzoic acid, 2-methylphenyl ester
    • 2-Cresyl benzoate
    • Q2UE89RH5U
    • NSC-6043
    • O-CRESYL BENZOATE
    • 2-TOLYL BENZOATE
    • EINECS 210-501-8
    • CRESYL BENZOATE, O-
    • AI3-03809
    • DTXSID30210695
    • NSC 6043
    • RefChem:470556
    • DTXCID60133186
    • 210-501-8
    • (2-methylphenyl) benzoate
    • o-Tolylbenzoate
    • Benzoic acid o-tolyl ester
    • toluene benzoate
    • 2-Methylphenyl benzoate #
    • UNII-Q2UE89RH5U
    • ORTHO-TOLYL BENZOATE
    • SCHEMBL1284160
    • SCHEMBL1728342
    • SCHEMBL11427924
    • SCHEMBL11844697
    • NSC6043
    • AKOS003042856
    • AS-76211
    • NS00034771
    • ST50825615
    • Q63396341
    • 617-02-7

  • Applications

    2-Cresyl benzoate is commonly used in perfumery and cosmetics as a fragrance ingredient and fixative, helping to extend the duration of more volatile notes in complex blends; it is also employed as a solvent or processing aid in specialty coatings and printing inks, and can serve as a carrier or fragrance component in household products such as air fresheners; in industrial manufacturing and polymer formulations it may act as a processing aid or plasticizer for certain resin systems, subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 132.56
    methanol 133.86
    isopropanol 67.3
    water 0.15
    ethyl acetate 365.97
    n-propanol 119.64
    acetone 185.53
    n-butanol 121.23
    acetonitrile 270.28
    DMF 497.46
    toluene 216.15
    isobutanol 85.73
    1,4-dioxane 387.45
    methyl acetate 357.22
    THF 310.59
    2-butanone 365.39
    n-pentanol 93.26
    sec-butanol 115.88
    n-hexane 13.33
    ethylene glycol 11.79
    NMP 207.64
    cyclohexane 19.96
    DMSO 143.85
    n-butyl acetate 292.82
    n-octanol 78.53
    chloroform 773.84
    n-propyl acetate 245.52
    acetic acid 146.63
    dichloromethane 717.72
    cyclohexanone 366.96
    propylene glycol 21.78
    isopropyl acetate 207.02
    DMAc 654.42
    2-ethoxyethanol 140.55
    isopentanol 125.8
    n-heptane 10.76
    ethyl formate 172.35
    1,2-dichloroethane 664.41
    n-hexanol 123.49
    2-methoxyethanol 229.07
    isobutyl acetate 156.64
    tetrachloromethane 31.84
    n-pentyl acetate 146.3
    transcutol 993.22
    n-heptanol 69.47
    ethylbenzene 171.82
    MIBK 182.53
    2-propoxyethanol 199.95
    tert-butanol 102.08
    MTBE 204.22
    2-butoxyethanol 143.2
    propionic acid 120.11
    o-xylene 131.54
    formic acid 39.25
    diethyl ether 286.49
    m-xylene 117.64
    p-xylene 172.83
    chlorobenzene 318.51
    dimethyl carbonate 140.67
    n-octane 8.22
    formamide 142.67
    cyclopentanone 280.35
    2-pentanone 261.32
    anisole 347.44
    cyclopentyl methyl ether 137.17
    gamma-butyrolactone 331.36
    1-methoxy-2-propanol 166.91
    pyridine 668.54
    3-pentanone 256.15
    furfural 417.82
    n-dodecane 8.5
    diethylene glycol 98.81
    diisopropyl ether 63.28
    tert-amyl alcohol 145.5
    acetylacetone 278.8
    n-hexadecane 10.13
    acetophenone 295.44
    methyl propionate 274.85
    isopentyl acetate 271.12
    trichloroethylene 1239.5
    n-nonanol 76.33
    cyclohexanol 95.18
    benzyl alcohol 168.57
    2-ethylhexanol 91.71
    isooctanol 67.72
    dipropyl ether 113.35
    1,2-dichlorobenzene 285.94
    ethyl lactate 76.51
    propylene carbonate 246.8
    n-methylformamide 198.87
    2-pentanol 82.97
    n-pentane 8.08
    1-propoxy-2-propanol 139.88
    1-methoxy-2-propyl acetate 223.03
    2-(2-methoxypropoxy) propanol 188.12
    mesitylene 67.55
    ε-caprolactone 333.87
    p-cymene 66.46
    epichlorohydrin 660.67
    1,1,1-trichloroethane 322.33
    2-aminoethanol 44.82
    morpholine-4-carbaldehyde 312.57
    sulfolane 240.21
    2,2,4-trimethylpentane 10.62
    2-methyltetrahydrofuran 231.56
    n-hexyl acetate 214.38
    isooctane 7.36
    2-(2-butoxyethoxy)ethanol 262.84
    sec-butyl acetate 191.65
    tert-butyl acetate 208.41
    decalin 22.41
    glycerin 32.88
    diglyme 597.24
    acrylic acid 109.34
    isopropyl myristate 86.7
    n-butyric acid 204.15
    acetyl acetate 208.89
    di(2-ethylhexyl) phthalate 68.11
    ethyl propionate 238.72
    nitromethane 381.22
    1,2-diethoxyethane 344.87
    benzonitrile 280.19
    trioctyl phosphate 45.95
    1-bromopropane 289.08
    gamma-valerolactone 429.55
    n-decanol 55.89
    triethyl phosphate 81.89
    4-methyl-2-pentanol 63.79
    propionitrile 278.38
    vinylene carbonate 289.01
    1,1,2-trichlorotrifluoroethane 245.65
    DMS 199.67
    cumene 91.36
    2-octanol 55.36
    2-hexanone 234.49
    octyl acetate 105.78
    limonene 78.93
    1,2-dimethoxyethane 431.91
    ethyl orthosilicate 78.46
    tributyl phosphate 70.92
    diacetone alcohol 188.46
    N,N-dimethylaniline 169.43
    acrylonitrile 384.19
    aniline 191.8
    1,3-propanediol 83.58
    bromobenzene 340.73
    dibromomethane 451.46
    1,1,2,2-tetrachloroethane 835.33
    2-methyl-cyclohexyl acetate 141.54
    tetrabutyl urea 91.97
    diisobutyl methanol 57.31
    2-phenylethanol 173.96
    styrene 241.27
    dioctyl adipate 121.74
    dimethyl sulfate 142.63
    ethyl butyrate 216.56
    methyl lactate 85.31
    butyl lactate 95.84
    diethyl carbonate 162.93
    propanediol butyl ether 108.53
    triethyl orthoformate 125.11
    p-tert-butyltoluene 59.59
    methyl 4-tert-butylbenzoate 161.73
    morpholine 392.81
    tert-butylamine 69.98
    n-dodecanol 43.34
    dimethoxymethane 307.73
    ethylene carbonate 207.18
    cyrene 113.25
    2-ethoxyethyl acetate 234.96
    2-ethylhexyl acetate 212.6
    1,2,4-trichlorobenzene 294.67
    4-methylpyridine 510.81
    dibutyl ether 151.01
    2,6-dimethyl-4-heptanol 57.31
    DEF 400.88
    dimethyl isosorbide 262.76
    tetrachloroethylene 427.64
    eugenol 175.61
    triacetin 187.02
    span 80 119.96
    1,4-butanediol 27.2
    1,1-dichloroethane 389.63
    2-methyl-1-pentanol 120.56
    methyl formate 142.39
    2-methyl-1-butanol 127.82
    n-decane 13.48
    butyronitrile 260.33
    3,7-dimethyl-1-octanol 92.12
    1-chlorooctane 75.44
    1-chlorotetradecane 29.39
    n-nonane 11.52
    undecane 10.37
    tert-butylcyclohexane 19.55
    cyclooctane 7.43
    cyclopentanol 62.01
    tetrahydropyran 315.51
    tert-amyl methyl ether 178.12
    2,5,8-trioxanonane 364.89
    1-hexene 86.59
    2-isopropoxyethanol 114.2
    2,2,2-trifluoroethanol 50.5
    methyl butyrate 314.71

    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