Ethyl benzoylformate

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  • Identifiers

    CAS number
    1603-79-8

    Molecular formula
    C10H10O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.6%
    Fruity 59.66%
    Caramellic 57.86%
    Balsamic 50.24%
    Honey 48.31%
    Spicy 43.95%
    Floral 41.98%
    Burnt 34.53%
    Herbal 34.36%
    Phenolic 34.03%

     

    Flavor
    Balsam 38.59%
    Fruity 33.99%
    Strawberry 31.6%
    Sweet 31.02%
    Faint 30.23%
    Honey 27.81%
    Grape 27.23%
    Wintergreen 26.77%
    Odorless 26.4%
    Bitter 26.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.65 (neutral)

    Molecular weight
    178.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    260°C

    Flash point

    • 108.04 ˚C est.

  • Synonyms

    • ETHYL BENZOYLFORMATE
    • 1603-79-8
    • Ethyl phenylglyoxylate
    • Ethyl 2-oxo-2-phenylacetate
    • Ethyl oxophenylacetate
    • Benzeneacetic acid, alpha-oxo-, ethyl ester
    • Glyoxylic acid, phenyl-, ethyl ester
    • AMN28N4D74
    • AI3-10033
    • NSC-6766
    • DTXSID1061815
    • CHEBI:84260
    • RefChem:139042
    • DTXCID0035162
    • 216-504-0
    • MFCD00009120
    • ethyl oxo(phenyl)acetate
    • Phenylglyoxylic acid ethyl ester
    • Benzeneacetic acid, .alpha.-oxo-, ethyl ester
    • ethyl 2-oxo-2-phenyl-acetate
    • phenyl glyoxylic acid ethyl ester
    • oxo-phenyl-acetic acid ethyl ester
    • 2-Phenyl-2-oxoacetic acid ethyl ester
    • Benzoylformic Acid Ethyl Ester
    • Diquafosol Impurity 14
    • ETHYL ALPHA-OXOBENZENEACETATE
    • NSC 6766
    • EINECS 216-504-0
    • alpha-Oxobenzeneacetic acid ethyl ester
    • ethyl phenyl-glyoxylate
    • ethyl benzoylformic acid
    • Ethyl oxophenylacetic acid
    • Ethyl phenylglyoxylic acid
    • EC 216-504-0
    • Ethyl benzoylformate, 95%
    • UNII-AMN28N4D74
    • SCHEMBL97859
    • Phenyl glyoxylate ethyl ester
    • orb1306680
    • Ethyl 2-oxo-2-phenylacetic acid
    • NSC6766
    • Phenylglyoxylic acid, ethyl ester
    • SBB053693
    • AKOS001133051
    • CS-W017334
    • FE33198
    • HY-W016618
    • AS-15563
    • SY020312
    • Benzeneacetic acid, |A-oxo-, ethyl ester
    • DB-043454
    • B0109
    • NS00006503
    • ST50825116
    • EN300-18888
    • F035199
    • Ethyl Benzoylformate(Discontinued,See C4X-214914)
    • Q27157626
    • Z94598662
    • F0001-0575
    • 1603-79-8

  • Applications

    Ethyl benzoylformate (CAS 1603-79-8) is a versatile synthetic intermediate with applications across fragrance and cosmetics, pharmaceuticals, agrochemicals, and industrial chemical manufacture. In perfumery, it functions as an odorant precursor and fragrance intermediate, helping to build complex aroma profiles. In cosmetics and personal care, it is often used as a fragrance-building block within formulations. In pharmaceutical and agrochemical synthesis, it provides a versatile beta-keto ester building block for subsequent transformations. In industrial manufacturing and polymer chemistry, it serves as a reagent for aldol-type condensations and as a precursor to specialty resins or monomers. Depending on formulation and local regulations, it may also be used as a solvent or co-solvent in certain process steps.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.49
    methanol 324.12
    isopropanol 147.1
    water 0.63
    ethyl acetate 278.27
    n-propanol 179.89
    acetone 534.4
    n-butanol 185.91
    acetonitrile 378.66
    DMF 1655.58
    toluene 200.44
    isobutanol 128.36
    1,4-dioxane 481.52
    methyl acetate 401.45
    THF 462.48
    2-butanone 402.33
    n-pentanol 133.39
    sec-butanol 158.68
    n-hexane 13.63
    ethylene glycol 99.63
    NMP 868.26
    cyclohexane 46.23
    DMSO 612.14
    n-butyl acetate 188.29
    n-octanol 103.28
    chloroform 777.39
    n-propyl acetate 170.93
    acetic acid 345.1
    dichloromethane 793.8
    cyclohexanone 627.37
    propylene glycol 78.38
    isopropyl acetate 141.85
    DMAc 928.76
    2-ethoxyethanol 255.75
    isopentanol 161.47
    n-heptane 10.6
    ethyl formate 261.48
    1,2-dichloroethane 780.4
    n-hexanol 149.35
    2-methoxyethanol 569.51
    isobutyl acetate 86.05
    tetrachloromethane 71.18
    n-pentyl acetate 124.44
    transcutol 666.3
    n-heptanol 93.15
    ethylbenzene 104.72
    MIBK 142.46
    2-propoxyethanol 261.08
    tert-butanol 201.18
    MTBE 159.08
    2-butoxyethanol 174.56
    propionic acid 237.02
    o-xylene 131.95
    formic acid 147.23
    diethyl ether 198.04
    m-xylene 110.06
    p-xylene 126.71
    chlorobenzene 380.6
    dimethyl carbonate 215.73
    n-octane 9.61
    formamide 384.65
    cyclopentanone 565.48
    2-pentanone 295.53
    anisole 215.67
    cyclopentyl methyl ether 199.29
    gamma-butyrolactone 608.36
    1-methoxy-2-propanol 326.16
    pyridine 698.94
    3-pentanone 250.61
    furfural 734.72
    n-dodecane 9.82
    diethylene glycol 260.34
    diisopropyl ether 48.87
    tert-amyl alcohol 177.94
    acetylacetone 335.18
    n-hexadecane 11.45
    acetophenone 247.52
    methyl propionate 309.2
    isopentyl acetate 147.16
    trichloroethylene 1423.18
    n-nonanol 90.67
    cyclohexanol 224.97
    benzyl alcohol 219.22
    2-ethylhexanol 93.12
    isooctanol 68.63
    dipropyl ether 74.99
    1,2-dichlorobenzene 344.3
    ethyl lactate 109.89
    propylene carbonate 343.62
    n-methylformamide 608.78
    2-pentanol 120.11
    n-pentane 14.98
    1-propoxy-2-propanol 162.5
    1-methoxy-2-propyl acetate 163.53
    2-(2-methoxypropoxy) propanol 158.04
    mesitylene 69.83
    ε-caprolactone 449.04
    p-cymene 52.69
    epichlorohydrin 714.04
    1,1,1-trichloroethane 418.23
    2-aminoethanol 165.58
    morpholine-4-carbaldehyde 728.38
    sulfolane 641.38
    2,2,4-trimethylpentane 11.15
    2-methyltetrahydrofuran 274.53
    n-hexyl acetate 187.63
    isooctane 8.28
    2-(2-butoxyethoxy)ethanol 232.02
    sec-butyl acetate 99.12
    tert-butyl acetate 143.26
    decalin 24.71
    glycerin 147.9
    diglyme 487.65
    acrylic acid 279.46
    isopropyl myristate 65.65
    n-butyric acid 280.41
    acetyl acetate 190.01
    di(2-ethylhexyl) phthalate 68.17
    ethyl propionate 157.04
    nitromethane 807.37
    1,2-diethoxyethane 193.15
    benzonitrile 317.52
    trioctyl phosphate 51.32
    1-bromopropane 270.94
    gamma-valerolactone 698.09
    n-decanol 67.53
    triethyl phosphate 72.22
    4-methyl-2-pentanol 69.35
    propionitrile 284.1
    vinylene carbonate 416.69
    1,1,2-trichlorotrifluoroethane 515.26
    DMS 192.14
    cumene 62.49
    2-octanol 68.67
    2-hexanone 187.47
    octyl acetate 86.38
    limonene 74.38
    1,2-dimethoxyethane 501.97
    ethyl orthosilicate 64.94
    tributyl phosphate 64.69
    diacetone alcohol 203.63
    N,N-dimethylaniline 137.08
    acrylonitrile 492.23
    aniline 288.33
    1,3-propanediol 241.04
    bromobenzene 356.12
    dibromomethane 506.02
    1,1,2,2-tetrachloroethane 1015.74
    2-methyl-cyclohexyl acetate 97.67
    tetrabutyl urea 101.85
    diisobutyl methanol 50.49
    2-phenylethanol 169.19
    styrene 156.68
    dioctyl adipate 95.01
    dimethyl sulfate 301.59
    ethyl butyrate 125.74
    methyl lactate 203.48
    butyl lactate 114.37
    diethyl carbonate 103.89
    propanediol butyl ether 171.74
    triethyl orthoformate 86.68
    p-tert-butyltoluene 50.33
    methyl 4-tert-butylbenzoate 145.23
    morpholine 528.4
    tert-butylamine 107.24
    n-dodecanol 52.15
    dimethoxymethane 480.89
    ethylene carbonate 307.0
    cyrene 165.45
    2-ethoxyethyl acetate 163.27
    2-ethylhexyl acetate 115.18
    1,2,4-trichlorobenzene 374.97
    4-methylpyridine 559.92
    dibutyl ether 102.81
    2,6-dimethyl-4-heptanol 50.49
    DEF 527.78
    dimethyl isosorbide 238.12
    tetrachloroethylene 631.5
    eugenol 167.55
    triacetin 158.49
    span 80 127.2
    1,4-butanediol 92.06
    1,1-dichloroethane 512.67
    2-methyl-1-pentanol 129.57
    methyl formate 451.95
    2-methyl-1-butanol 156.79
    n-decane 15.02
    butyronitrile 267.07
    3,7-dimethyl-1-octanol 84.97
    1-chlorooctane 72.91
    1-chlorotetradecane 29.97
    n-nonane 13.67
    undecane 11.87
    tert-butylcyclohexane 17.57
    cyclooctane 14.73
    cyclopentanol 185.05
    tetrahydropyran 368.5
    tert-amyl methyl ether 143.27
    2,5,8-trioxanonane 311.07
    1-hexene 67.03
    2-isopropoxyethanol 148.19
    2,2,2-trifluoroethanol 145.24
    methyl butyrate 257.06

    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