Phenyl benzoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93-99-2

    Molecular formula
    C13H10O2

    SMILES
    C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 73.88%
    Balsamic 71.83%
    Fruity 52.9%
    Green 52.8%
    Rose 49.17%
    Phenolic 48.82%
    Metallic 45.39%
    Honey 44.53%
    Herbal 42.29%
    Sweet 33.71%

     

    Flavor
    Balsam 69.43%
    Sweet 62.39%
    Honey 46.06%
    Herbal 43.77%
    Balsamic 41.11%
    Rose 38.84%
    Floral 37.14%
    Wintergreen 34.07%
    Almond 32.93%
    Faint 32.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.28 (neutral)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 136.07 ˚C est.

  • Synonyms

    • PHENYL BENZOATE
    • 93-99-2
    • Benzoic acid phenyl ester
    • Diphenylcarboxylate
    • Benzoic acid, phenyl ester
    • Phenol, benzoate
    • EINECS 202-293-2
    • UNII-B8A3WVZ590
    • MFCD00003072
    • NSC 37086
    • BRN 1566346
    • B8A3WVZ590
    • MLS002608016
    • DTXSID0048210
    • CHEBI:86919
    • AI3-04731
    • NSC-37086
    • DTXCID8028185
    • 4-09-00-00303 (Beilstein Handbook Reference)
    • DPCate
    • CAS-93-99-2
    • PHENY L BENZOATE
    • Phenyl benzoate, 99%
    • WLN: RVOR
    • Benzoic acid-phenyl ester
    • bmse010254
    • SCHEMBL31888
    • PHENYL BENZOATE [MI]
    • CHEMBL1885870
    • MSK3407
    • HMS3080D03
    • NSC37086
    • Tox21_202880
    • Tox21_303595
    • AKOS001445255
    • CS-W010539
    • HY-W009823
    • NCGC00257480-01
    • NCGC00260426-01
    • AC-21023
    • DA-56799
    • SMR001526772
    • SY012912
    • B0075
    • NS00013974
    • EN300-82943
    • Q27159286
    • Z28228413
    • 202-293-2
    • InChI=1/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10

  • Applications

    Phenyl benzoate (CAS 93-99-2) is used primarily as a fragrance ingredient and fixative in perfumery and cosmetics, helping to extend fragrance release and stabilize scent. It also serves as a solvent and processing aid in coatings, inks, and adhesives, facilitating resin dissolution and formulation. As a synthetic intermediate, phenyl benzoate is commonly evaluated as a precursor for aroma chemicals and specialty esters. It is also encountered in household products where it functions as a fragrance component and solvent in cleaning and personal care formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 157.39
    methanol 131.97
    isopropanol 100.34
    water 0.26
    ethyl acetate 365.59
    n-propanol 145.25
    acetone 491.36
    n-butanol 146.6
    acetonitrile 433.24
    DMF 1268.84
    toluene 106.01
    isobutanol 113.7
    1,4-dioxane 444.29
    methyl acetate 436.53
    THF 543.16
    2-butanone 590.15
    n-pentanol 106.59
    sec-butanol 150.37
    n-hexane 11.39
    ethylene glycol 22.23
    NMP 474.02
    cyclohexane 18.5
    DMSO 424.22
    n-butyl acetate 296.52
    n-octanol 106.7
    chloroform 744.31
    n-propyl acetate 282.63
    acetic acid 250.15
    dichloromethane 623.76
    cyclohexanone 645.15
    propylene glycol 38.18
    isopropyl acetate 200.16
    DMAc 1012.98
    2-ethoxyethanol 161.04
    isopentanol 141.59
    n-heptane 10.94
    ethyl formate 278.27
    1,2-dichloroethane 655.69
    n-hexanol 117.28
    2-methoxyethanol 332.73
    isobutyl acetate 164.91
    tetrachloromethane 23.06
    n-pentyl acetate 165.41
    transcutol 1140.13
    n-heptanol 75.08
    ethylbenzene 126.69
    MIBK 201.36
    2-propoxyethanol 205.6
    tert-butanol 116.68
    MTBE 172.64
    2-butoxyethanol 148.86
    propionic acid 199.35
    o-xylene 84.79
    formic acid 55.26
    diethyl ether 251.29
    m-xylene 70.21
    p-xylene 139.26
    chlorobenzene 314.9
    dimethyl carbonate 185.72
    n-octane 8.69
    formamide 218.56
    cyclopentanone 603.69
    2-pentanone 382.71
    anisole 324.74
    cyclopentyl methyl ether 183.81
    gamma-butyrolactone 600.32
    1-methoxy-2-propanol 240.41
    pyridine 817.35
    3-pentanone 318.19
    furfural 630.55
    n-dodecane 10.13
    diethylene glycol 113.54
    diisopropyl ether 54.7
    tert-amyl alcohol 149.16
    acetylacetone 385.59
    n-hexadecane 11.98
    acetophenone 326.13
    methyl propionate 340.2
    isopentyl acetate 237.88
    trichloroethylene 1365.81
    n-nonanol 98.31
    cyclohexanol 132.82
    benzyl alcohol 177.18
    2-ethylhexanol 90.44
    isooctanol 65.93
    dipropyl ether 117.27
    1,2-dichlorobenzene 306.21
    ethyl lactate 109.83
    propylene carbonate 393.06
    n-methylformamide 403.71
    2-pentanol 103.82
    n-pentane 6.96
    1-propoxy-2-propanol 165.1
    1-methoxy-2-propyl acetate 222.55
    2-(2-methoxypropoxy) propanol 210.08
    mesitylene 48.45
    ε-caprolactone 502.47
    p-cymene 59.76
    epichlorohydrin 873.81
    1,1,1-trichloroethane 306.28
    2-aminoethanol 64.44
    morpholine-4-carbaldehyde 491.11
    sulfolane 512.16
    2,2,4-trimethylpentane 8.11
    2-methyltetrahydrofuran 343.35
    n-hexyl acetate 265.07
    isooctane 5.94
    2-(2-butoxyethoxy)ethanol 298.72
    sec-butyl acetate 188.36
    tert-butyl acetate 190.73
    decalin 19.63
    glycerin 56.56
    diglyme 652.06
    acrylic acid 192.69
    isopropyl myristate 99.22
    n-butyric acid 297.71
    acetyl acetate 219.26
    di(2-ethylhexyl) phthalate 73.65
    ethyl propionate 253.21
    nitromethane 739.87
    1,2-diethoxyethane 313.66
    benzonitrile 358.27
    trioctyl phosphate 53.05
    1-bromopropane 248.51
    gamma-valerolactone 749.27
    n-decanol 69.17
    triethyl phosphate 95.09
    4-methyl-2-pentanol 67.59
    propionitrile 369.46
    vinylene carbonate 425.65
    1,1,2-trichlorotrifluoroethane 363.73
    DMS 253.99
    cumene 73.38
    2-octanol 66.68
    2-hexanone 296.11
    octyl acetate 124.79
    limonene 75.1
    1,2-dimethoxyethane 506.72
    ethyl orthosilicate 83.14
    tributyl phosphate 80.5
    diacetone alcohol 210.23
    N,N-dimethylaniline 156.45
    acrylonitrile 569.14
    aniline 171.33
    1,3-propanediol 117.64
    bromobenzene 288.44
    dibromomethane 383.7
    1,1,2,2-tetrachloroethane 941.58
    2-methyl-cyclohexyl acetate 144.51
    tetrabutyl urea 112.45
    diisobutyl methanol 56.3
    2-phenylethanol 151.97
    styrene 181.85
    dioctyl adipate 155.99
    dimethyl sulfate 227.71
    ethyl butyrate 241.73
    methyl lactate 144.17
    butyl lactate 129.35
    diethyl carbonate 181.45
    propanediol butyl ether 155.42
    triethyl orthoformate 137.47
    p-tert-butyltoluene 51.47
    methyl 4-tert-butylbenzoate 177.37
    morpholine 522.62
    tert-butylamine 69.38
    n-dodecanol 51.41
    dimethoxymethane 393.53
    ethylene carbonate 303.2
    cyrene 135.05
    2-ethoxyethyl acetate 230.13
    2-ethylhexyl acetate 190.09
    1,2,4-trichlorobenzene 309.6
    4-methylpyridine 581.48
    dibutyl ether 188.47
    2,6-dimethyl-4-heptanol 56.3
    DEF 558.94
    dimethyl isosorbide 294.74
    tetrachloroethylene 450.1
    eugenol 187.51
    triacetin 235.35
    span 80 144.06
    1,4-butanediol 38.38
    1,1-dichloroethane 432.42
    2-methyl-1-pentanol 121.78
    methyl formate 274.34
    2-methyl-1-butanol 141.79
    n-decane 16.48
    butyronitrile 360.98
    3,7-dimethyl-1-octanol 98.34
    1-chlorooctane 87.77
    1-chlorotetradecane 33.07
    n-nonane 14.54
    undecane 12.37
    tert-butylcyclohexane 16.27
    cyclooctane 5.93
    cyclopentanol 123.57
    tetrahydropyran 423.45
    tert-amyl methyl ether 153.11
    2,5,8-trioxanonane 388.17
    1-hexene 85.98
    2-isopropoxyethanol 113.23
    2,2,2-trifluoroethanol 75.93
    methyl butyrate 399.78

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Phenyl benzoate should not be used as a fragrance ingredient.