Eugenyl benzoate

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  • Identifiers

    CAS number
    531-26-0

    Molecular formula
    C17H16O3

    SMILES
    COC1=C(C=CC(=C1)CC=C)OC(=O)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 69.8%
    Balsamic 64.71%
    Sweet 51.5%
    Clove 47.89%
    Floral 47.73%
    Woody 45.0%
    Warm 43.59%
    Phenolic 36.21%
    Herbal 35.74%
    Cinnamon 34.91%

     

    Flavor
    Sweet 73.1%
    Floral 53.98%
    Balsam 52.9%
    Woody 45.14%
    Spicy 39.52%
    Powdery 38.27%
    Clove 37.31%
    Spice 37.2%
    Balsamic 35.2%
    Herbal 35.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.0 (neutral)

    Molecular weight
    268.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 69 - 70 °C

    Boiling point

    • 360.00 °C. @ 760.00 mm Hg

    Flash point

    • 160.26 ˚C est.

    Solubility expt.

    • Insoluble in water; Soluble in oils
    • Soluble (in ethanol)

  • Synonyms

    • Eugenyl benzoate
    • 4-Allyl-2-methoxyphenyl benzoate
    • Eugenol benzoate
    • 531-26-0
    • Benzoyl eugenol
    • p-Eugenol, benzoate
    • (2-methoxy-4-prop-2-enylphenyl) benzoate
    • FEMA No. 2471
    • PHENOL, 2-METHOXY-4-(2-PROPENYL)-, BENZOATE
    • Phenol, 4-allyl-2-methoxy-, benzoate
    • Eugenyl Benzoat
    • Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-benzoate
    • YRO21E9Z35
    • 2-Methoxy-4-(2-propenyl)phenyl benzoate
    • 2-methoxy-4-(prop-2-en-1-yl)phenyl benzoate
    • EINECS 208-504-4
    • NSC 408913
    • NSC-408913
    • AI3-23236
    • EUGENYL BENZOATE [FHFI]
    • DTXSID70862132
    • Phenol, 4-allyl-2-methoxy-, benzoate (8CI)
    • UNII-YRO21E9Z35
    • Spectrum_000718
    • SpecPlus_000268
    • Spectrum2_001905
    • Spectrum3_001313
    • Spectrum4_001465
    • Spectrum5_000109
    • Oprea1_410467
    • BSPBio_003005
    • KBioGR_002009
    • KBioSS_001198
    • SPECTRUM300157
    • MLS001049077
    • DivK1c_006364
    • SCHEMBL357066
    • SPBio_001870
    • CHEMBL264141
    • FEMA 2471
    • KBio1_001308
    • KBio2_001198
    • KBio2_003766
    • KBio2_006334
    • KBio3_002225
    • DTXCID60810940
    • CHEBI:174535
    • HMS2268G13
    • HY-N8579
    • CCG-38476
    • NSC408913
    • STL511304
    • AKOS030490315
    • benzoic acid eugenyl ester, AldrichCPR
    • SDCCGMLS-0066560.P001
    • NCGC00095927-01
    • NCGC00095927-02
    • SMR000386915
    • DB-253074
    • CS-0148651
    • NS00042973
    • AE-562/13525005
    • SR-01000758224
    • SR-01000758224-2
    • Q27294677
    • 208-504-4

  • Applications

    Eugenyl benzoate (CAS 531-26-0) is a fragrance ester used primarily as an aroma compound and fixative in perfumery and fragrance formulations for cosmetics and personal care. It is also employed as a fragrance ingredient in cosmetics and personal care products to extend scent longevity. It can be used in household products such as air fresheners and cleaners to impart fragrance. In industrial manufacturing, it may serve as an intermediate in fragrance synthesis and as a fragrance additive for coatings or inks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 187.45
    methanol 208.45
    isopropanol 86.96
    water 0.03
    ethyl acetate 875.76
    n-propanol 172.87
    acetone 594.83
    n-butanol 158.7
    acetonitrile 493.67
    DMF 665.5
    toluene 692.97
    isobutanol 108.98
    1,4-dioxane 467.87
    methyl acetate 657.26
    THF 807.87
    2-butanone 672.34
    n-pentanol 94.72
    sec-butanol 143.69
    n-hexane 11.41
    ethylene glycol 25.54
    NMP 483.62
    cyclohexane 42.05
    DMSO 593.34
    n-butyl acetate 275.44
    n-octanol 37.89
    chloroform 1925.17
    n-propyl acetate 288.61
    acetic acid 263.15
    dichloromethane 2390.93
    cyclohexanone 752.91
    propylene glycol 42.56
    isopropyl acetate 335.85
    DMAc 808.25
    2-ethoxyethanol 218.72
    isopentanol 142.61
    n-heptane 8.52
    ethyl formate 225.3
    1,2-dichloroethane 1907.92
    n-hexanol 100.47
    2-methoxyethanol 388.87
    isobutyl acetate 155.18
    tetrachloromethane 87.31
    n-pentyl acetate 127.11
    transcutol 965.7
    n-heptanol 45.13
    ethylbenzene 167.55
    MIBK 260.53
    2-propoxyethanol 227.34
    tert-butanol 138.65
    MTBE 261.84
    2-butoxyethanol 118.49
    propionic acid 217.96
    o-xylene 205.18
    formic acid 72.47
    diethyl ether 596.32
    m-xylene 228.46
    p-xylene 164.09
    chlorobenzene 669.38
    dimethyl carbonate 324.32
    n-octane 4.79
    formamide 251.36
    cyclopentanone 840.87
    2-pentanone 533.3
    anisole 353.39
    cyclopentyl methyl ether 426.47
    gamma-butyrolactone 824.84
    1-methoxy-2-propanol 261.61
    pyridine 1086.64
    3-pentanone 535.38
    furfural 644.66
    n-dodecane 4.72
    diethylene glycol 153.69
    diisopropyl ether 92.67
    tert-amyl alcohol 164.05
    acetylacetone 615.47
    n-hexadecane 5.68
    acetophenone 322.5
    methyl propionate 672.58
    isopentyl acetate 232.99
    trichloroethylene 3002.66
    n-nonanol 38.85
    cyclohexanol 198.72
    benzyl alcohol 227.5
    2-ethylhexanol 70.11
    isooctanol 43.88
    dipropyl ether 106.69
    1,2-dichlorobenzene 478.48
    ethyl lactate 99.62
    propylene carbonate 376.88
    n-methylformamide 318.51
    2-pentanol 118.12
    n-pentane 12.04
    1-propoxy-2-propanol 142.6
    1-methoxy-2-propyl acetate 291.12
    2-(2-methoxypropoxy) propanol 151.89
    mesitylene 97.63
    ε-caprolactone 549.15
    p-cymene 57.28
    epichlorohydrin 1513.3
    1,1,1-trichloroethane 867.62
    2-aminoethanol 69.89
    morpholine-4-carbaldehyde 461.85
    sulfolane 703.63
    2,2,4-trimethylpentane 12.61
    2-methyltetrahydrofuran 505.4
    n-hexyl acetate 157.99
    isooctane 8.97
    2-(2-butoxyethoxy)ethanol 213.01
    sec-butyl acetate 215.26
    tert-butyl acetate 304.44
    decalin 22.39
    glycerin 71.79
    diglyme 508.94
    acrylic acid 209.84
    isopropyl myristate 63.7
    n-butyric acid 308.72
    acetyl acetate 438.16
    di(2-ethylhexyl) phthalate 61.68
    ethyl propionate 289.35
    nitromethane 875.96
    1,2-diethoxyethane 322.32
    benzonitrile 326.95
    trioctyl phosphate 38.37
    1-bromopropane 719.86
    gamma-valerolactone 740.98
    n-decanol 29.13
    triethyl phosphate 90.66
    4-methyl-2-pentanol 67.81
    propionitrile 383.71
    vinylene carbonate 372.62
    1,1,2-trichlorotrifluoroethane 542.79
    DMS 269.96
    cumene 75.26
    2-octanol 32.66
    2-hexanone 251.14
    octyl acetate 76.15
    limonene 83.15
    1,2-dimethoxyethane 454.77
    ethyl orthosilicate 83.74
    tributyl phosphate 54.73
    diacetone alcohol 276.6
    N,N-dimethylaniline 151.94
    acrylonitrile 604.11
    aniline 466.1
    1,3-propanediol 128.91
    bromobenzene 787.51
    dibromomethane 1393.62
    1,1,2,2-tetrachloroethane 1926.88
    2-methyl-cyclohexyl acetate 136.83
    tetrabutyl urea 71.4
    diisobutyl methanol 50.16
    2-phenylethanol 179.28
    styrene 272.54
    dioctyl adipate 105.31
    dimethyl sulfate 399.99
    ethyl butyrate 194.29
    methyl lactate 170.16
    butyl lactate 89.84
    diethyl carbonate 143.93
    propanediol butyl ether 89.87
    triethyl orthoformate 122.6
    p-tert-butyltoluene 54.3
    methyl 4-tert-butylbenzoate 148.87
    morpholine 590.95
    tert-butylamine 76.05
    n-dodecanol 23.81
    dimethoxymethane 616.78
    ethylene carbonate 293.49
    cyrene 150.22
    2-ethoxyethyl acetate 235.4
    2-ethylhexyl acetate 179.97
    1,2,4-trichlorobenzene 527.41
    4-methylpyridine 852.44
    dibutyl ether 97.03
    2,6-dimethyl-4-heptanol 50.16
    DEF 582.56
    dimethyl isosorbide 290.76
    tetrachloroethylene 967.62
    eugenol 141.0
    triacetin 189.55
    span 80 97.77
    1,4-butanediol 38.55
    1,1-dichloroethane 1212.51
    2-methyl-1-pentanol 119.36
    methyl formate 268.49
    2-methyl-1-butanol 155.92
    n-decane 7.07
    butyronitrile 298.06
    3,7-dimethyl-1-octanol 56.2
    1-chlorooctane 45.95
    1-chlorotetradecane 19.44
    n-nonane 6.13
    undecane 5.58
    tert-butylcyclohexane 16.66
    cyclooctane 13.59
    cyclopentanol 142.38
    tetrahydropyran 576.5
    tert-amyl methyl ether 231.95
    2,5,8-trioxanonane 324.12
    1-hexene 79.32
    2-isopropoxyethanol 155.9
    2,2,2-trifluoroethanol 89.94
    methyl butyrate 340.22

    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