Ethyl benzoate

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  • Identifiers

    CAS number
    93-89-0

    Molecular formula
    C9H10O2

    SMILES
    CCOC(=O)C1=CC=CC=C1

    Retention indicies (RI)

    • DB5: 1175.67
    • Carbowax: 1647.17

  • Odor profile

    Fruity 91.25%
    Floral 81.93%
    Sweet 78.51%
    Cherry 57.44%
    Balsamic 55.47%
    Berry 40.5%
    Anisic 38.76%
    Powdery 38.01%
    Jasmin 35.04%
    Grape 34.65%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -34 °C

    Boiling point

    • 75.50 °C. @ 760.00 mm Hg

    Flash point est.
    83.5 ˚C

    Solubility expt.

    • 0.72 mg/mL at 25 °C
    • insoluble in water, glycerol; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • ETHYL BENZOATE
    • 93-89-0
    • Benzoic acid, ethyl ester
    • Benzoic ether
    • Ethyl benzenecarboxylate
    • Benzoic Acid Ethyl Ester
    • Benzoyl ethyl ether
    • Ethylester kyseliny benzoove
    • FEMA No. 2422
    • Ethyl benzoate (natural)
    • NSC 8884
    • EINECS 202-284-3
    • UNII-J115BRJ15H
    • J115BRJ15H
    • DTXSID3038696
    • AI3-01352
    • Benzoic acid-ethyl ester
    • NSC-8884
    • CHEMBL510714
    • BENZOIC ACID,ETHYL ESTER
    • DTXCID1018696
    • CHEBI:156074
    • EC 202-284-3
    • MFCD00009109
    • NSC 8884-d5
    • Ethylester kyseliny benzoove [Czech]
    • HYDROUS BENZOYL PEROXIDE IMPURITY C (EP IMPURITY)
    • HYDROUS BENZOYL PEROXIDE IMPURITY C [EP IMPURITY]
    • Ethyl benzoate, >=99%
    • WLN: 2OVR
    • ETHYL BENZOATE [MI]
    • SCHEMBL55674
    • ETHYL BENZOATE [FCC]
    • ETHYL BENZOATE [FHFI]
    • Ethyl benzoate, puriss., 98%
    • FEMA 2422
    • NSC8884
    • Ethyl benzoate, analytical standard
    • ECA35403
    • Tox21_302021
    • BBL010500
    • BDBM50304448
    • STK025151
    • Ethyl benzoate, >=99%, FCC, FG
    • AKOS003596787
    • CS-W018155
    • FE37512
    • HY-W017439
    • CAS-93-89-0
    • NCGC00255586-01
    • VS-02532
    • DB-002644
    • B0069
    • Ethyl benzoate, natural, >=99%, FCC, FG
    • NS00008338
    • EN300-16131
    • Ethyl benzoate, Vetec(TM) reagent grade, 98%
    • Q421100
    • Z53835169
    • F8880-7461
    • InChI=1/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H
    • 202-284-3

  • Applications

    Ethyl benzoate (CAS 93-89-0) is the pleasantly fruity ester of benzoic acid used extensively as a flavor additive to impart banana, grape and apple notes to beverages, chewing gum and confectionery; as a fragrance ingredient supplying sweet balsamic nuances to perfumes, soaps and detergents; as an intermediate solvent for alkyd resins, nitrocellulose lacquers, inks and coatings; as an odor-masking agent and carrier in pesticides and insect repellents; as a building block in the synthesis of pharmaceuticals, dyes and surfactants; and as a reference compound in GC-MS analysis or a benign solvent in materials research owing to its good solvency and low toxicity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 944.58
    methanol 962.14
    isopropanol 727.52
    water 3.28
    ethyl acetate 949.83
    n-propanol 740.04
    acetone 1525.54
    n-butanol 759.06
    acetonitrile 1793.99
    DMF 2732.99
    toluene 468.19
    isobutanol 609.01
    1,4-dioxane 1365.43
    methyl acetate 1049.03
    THF 1205.34
    2-butanone 1123.28
    n-pentanol 572.0
    sec-butanol 720.13
    n-hexane 147.98
    ethylene glycol 226.24
    NMP 1687.39
    cyclohexane 234.57
    DMSO 1665.08
    n-butyl acetate 862.82
    n-octanol 599.89
    chloroform 4212.8
    n-propyl acetate 772.4
    acetic acid 1356.7
    dichloromethane 4272.94
    cyclohexanone 1627.62
    propylene glycol 223.75
    isopropyl acetate 472.38
    DMAc 1509.81
    2-ethoxyethanol 658.25
    isopentanol 566.57
    n-heptane 99.78
    ethyl formate 974.01
    1,2-dichloroethane 2401.6
    n-hexanol 546.79
    2-methoxyethanol 1064.8
    isobutyl acetate 378.21
    tetrachloromethane 450.5
    n-pentyl acetate 570.7
    transcutol 1839.42
    n-heptanol 364.31
    ethylbenzene 401.44
    MIBK 433.59
    2-propoxyethanol 670.2
    tert-butanol 774.57
    MTBE 580.8
    2-butoxyethanol 503.06
    propionic acid 943.37
    o-xylene 350.72
    formic acid 346.89
    diethyl ether 714.67
    m-xylene 339.78
    p-xylene 531.7
    chlorobenzene 1127.34
    dimethyl carbonate 509.62
    n-octane 74.18
    formamide 772.1
    cyclopentanone 1558.0
    2-pentanone 880.84
    anisole 766.41
    cyclopentyl methyl ether 606.13
    gamma-butyrolactone 1909.04
    1-methoxy-2-propanol 725.75
    pyridine 1814.32
    3-pentanone 674.32
    furfural 1762.48
    n-dodecane 75.82
    diethylene glycol 515.69
    diisopropyl ether 204.72
    tert-amyl alcohol 700.28
    acetylacetone 864.71
    n-hexadecane 85.54
    acetophenone 762.63
    methyl propionate 839.28
    isopentyl acetate 597.05
    trichloroethylene 4429.27
    n-nonanol 458.03
    cyclohexanol 699.75
    benzyl alcohol 578.3
    2-ethylhexanol 369.29
    isooctanol 285.9
    dipropyl ether 413.37
    1,2-dichlorobenzene 1042.93
    ethyl lactate 360.94
    propylene carbonate 1189.73
    n-methylformamide 1399.71
    2-pentanol 496.54
    n-pentane 123.82
    1-propoxy-2-propanol 529.06
    1-methoxy-2-propyl acetate 538.27
    2-(2-methoxypropoxy) propanol 476.74
    mesitylene 237.59
    ε-caprolactone 1235.46
    p-cymene 211.19
    epichlorohydrin 1833.58
    1,1,1-trichloroethane 1664.36
    2-aminoethanol 410.02
    morpholine-4-carbaldehyde 1375.75
    sulfolane 1959.59
    2,2,4-trimethylpentane 62.89
    2-methyltetrahydrofuran 933.64
    n-hexyl acetate 943.42
    isooctane 50.83
    2-(2-butoxyethoxy)ethanol 709.34
    sec-butyl acetate 400.52
    tert-butyl acetate 469.83
    decalin 123.63
    glycerin 336.89
    diglyme 1275.54
    acrylic acid 954.68
    isopropyl myristate 320.66
    n-butyric acid 1127.45
    acetyl acetate 607.85
    di(2-ethylhexyl) phthalate 228.42
    ethyl propionate 635.99
    nitromethane 2315.17
    1,2-diethoxyethane 716.39
    benzonitrile 1142.7
    trioctyl phosphate 209.36
    1-bromopropane 1161.17
    gamma-valerolactone 1603.22
    n-decanol 325.35
    triethyl phosphate 270.65
    4-methyl-2-pentanol 247.32
    propionitrile 1328.57
    vinylene carbonate 1288.3
    1,1,2-trichlorotrifluoroethane 1199.19
    DMS 604.92
    cumene 259.39
    2-octanol 339.78
    2-hexanone 707.3
    octyl acetate 431.28
    limonene 287.3
    1,2-dimethoxyethane 1216.94
    ethyl orthosilicate 246.37
    tributyl phosphate 274.97
    diacetone alcohol 521.69
    N,N-dimethylaniline 501.69
    acrylonitrile 1776.82
    aniline 635.21
    1,3-propanediol 574.38
    bromobenzene 1267.86
    dibromomethane 2710.17
    1,1,2,2-tetrachloroethane 3032.97
    2-methyl-cyclohexyl acetate 374.78
    tetrabutyl urea 380.18
    diisobutyl methanol 205.45
    2-phenylethanol 470.0
    styrene 611.62
    dioctyl adipate 418.99
    dimethyl sulfate 692.25
    ethyl butyrate 618.64
    methyl lactate 392.39
    butyl lactate 425.73
    diethyl carbonate 503.03
    propanediol butyl ether 560.45
    triethyl orthoformate 377.23
    p-tert-butyltoluene 197.71
    methyl 4-tert-butylbenzoate 521.23
    morpholine 1399.08
    tert-butylamine 537.79
    n-dodecanol 249.81
    dimethoxymethane 932.55
    ethylene carbonate 1028.22
    cyrene 398.16
    2-ethoxyethyl acetate 596.14
    2-ethylhexyl acetate 462.47
    1,2,4-trichlorobenzene 1067.98
    4-methylpyridine 1519.68
    dibutyl ether 597.59
    2,6-dimethyl-4-heptanol 205.45
    DEF 1241.26
    dimethyl isosorbide 645.61
    tetrachloroethylene 1928.64
    eugenol 538.93
    triacetin 638.7
    span 80 441.78
    1,4-butanediol 280.7
    1,1-dichloroethane 2226.32
    2-methyl-1-pentanol 467.01
    methyl formate 1086.07
    2-methyl-1-butanol 580.61
    n-decane 117.41
    butyronitrile 1292.62
    3,7-dimethyl-1-octanol 398.8
    1-chlorooctane 453.06
    1-chlorotetradecane 179.47
    n-nonane 122.32
    undecane 91.92
    tert-butylcyclohexane 105.01
    cyclooctane 72.38
    cyclopentanol 681.53
    tetrahydropyran 1163.0
    tert-amyl methyl ether 457.14
    2,5,8-trioxanonane 829.62
    1-hexene 491.78
    2-isopropoxyethanol 435.52
    2,2,2-trifluoroethanol 406.37
    methyl butyrate 959.5

    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
Artemisia monosperma Artemisia monosperma Del., fam. Asteraceae (Compositae) 1.0%
Clove bud (Malagasy) 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison (E.caryophyllata Thunb.) 0.08%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 0.2%
Easter Lily, Picked Flower Headspace A Lilium candidum L., fam. Liliaceae 0.4%
Easter Lily, Picked Flower Headspace B Lilium candidum L., fam. Liliaceae 12.5%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Orange leaf, sweet (Israel) 3 Citrus sinensis (L.) Osbeck, cultivar Valencia late, fam. Rutaceae 0.01%
Orange leaf, sweet (Israel) 1 Citrus sinensis (L.) Osbeck, cultivar Jaffa (Shamouti), fam. Rutaceae 0.01%
Orange leaf, sweet (Israel) 2 Citrus sinensis (L.) Osbeck, cultivar Ruby (Blood orange), fam. Rutaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.02%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.02%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 0.01%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.04%
Rose headspace 1 8007-01-0 Rosa damascena Mill., cv. Othello, fam. Rosaceae 0.1%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.07%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.07%
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 0.2%
Ylang Ylang (China) 2b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.06%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 0.35%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.11%
Clausena dunniana (China) 1 Clausena dunniana Levl., fam. Rutaceae 0.12%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.5%
Couroupita guaianensis flower (Malaysia) Couroupita guianensis Auble, fam. Lecythidaceae 0.1%
Lawsonia inermis flower 1a Lawsonia inermis L. (syn. L. alba Lam.), fam. Lythraceae 0.2%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.8%
Acacia praecox flower (Argentina) Acacia praecox Gris., fam. Mimosaceae (Leguminosae) 1.0%
Cinnamon leaf (India) 2 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.24%
Cinnamon bark (India) 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.08%
Cinnamomum "Re G—ng" (Vietnam) 1a leaf Cinnamomum species "Re G—ng", fam. Lauraceae 0.2%
Cinnamomum "Re G—ng" (Vietnam) 1b stem Cinnamomum species "Re G—ng", fam. Lauraceae 0.2%
Cinnamomum "Re G—ng" (Vietnam) 1d root Cinnamomum species "Re G—ng", fam. Lauraceae 0.2%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.5%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Inula verbascifolia ssp. parnassica Inula verbascifolia Hausskn., ssp. parnassia Tutin, fam. Asteraceae 0.01%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Niaouli (India) Melaleuca quinquenervia (Cav.) S.T. Blake, fam. Myrtaceae 0.1%