Allyl benzoate

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  • Identifiers

    CAS number
    583-04-0

    Molecular formula
    C10H10O2

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

  • Odor profile

    Fragrance
    Fruity 92.44%
    Sweet 69.37%
    Floral 62.06%
    Cherry 53.77%
    Balsamic 52.71%
    Spicy 39.36%
    Berry 37.77%
    Pineapple 36.55%
    Herbal 36.34%
    Almond 33.27%

     

    Flavor
    Fruity 54.96%
    Sweet 52.98%
    Balsam 52.39%
    Cherry 40.11%
    Strawberry 38.69%
    Floral 36.6%
    Almond 35.5%
    Grape 31.12%
    Balsamic 29.9%
    Powdery 29.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.79 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 82.00 to 85.00 °C. @ 5.00 mm Hg

    Flash point

    • 99.73 ˚C est.

  • Synonyms

    • Allyl benzoate
    • 583-04-0
    • Benzoic acid, 2-propenyl ester
    • Benzoic acid, allyl ester
    • 2-Propenyl benzoate
    • prop-2-enyl benzoate
    • Benzoic Acid Allyl Ester
    • prop-2-en-1-yl benzoate
    • UNII-AQY5543KFE
    • AQY5543KFE
    • MONOALLYL BENZOATE
    • EINECS 209-494-4
    • NSC 32639
    • NSC-32639
    • NSC 406846
    • NSC-406846
    • AI3-07823
    • ALLYL ALCOHOL, BENZOATE
    • DTXSID9073913
    • Benzoic acid, allyl ester (8CI)
    • BENZOIC ACID, 2-PROPEN-1-YL ESTER
    • ALLYLBENZOATE
    • MFCD00026104
    • Allyl Benzoate, >/=98%
    • SCHEMBL21007
    • ALLYL BENZOATE [INCI]
    • CHEMBL4078776
    • DTXCID7042356
    • SCHEMBL13158942
    • CHEBI:183024
    • NSC32639
    • NSC406846
    • AKOS006230161
    • DB-285616
    • B2041
    • CS-0205152
    • NS00033900
    • D88886
    • Q27274068
    • 209-494-4

  • Applications

    Allyl benzoate is widely used as a fragrance ingredient and odorant in perfumery, providing a balsamic-vanilla note and often functioning as a fixative; it is also evaluated for use as a flavor additive in select formulations; in cosmetics and personal care it serves as a fragrance component; in household products it is employed to impart fragrance in cleaners, detergents, and air fresheners; in industrial manufacturing it can act as an intermediate in organic synthesis and formulation development; in coatings and inks it can serve as a processing aid or fragrance additive to help retain scent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.52
    methanol 405.51
    isopropanol 263.22
    water 0.37
    ethyl acetate 538.77
    n-propanol 308.04
    acetone 542.65
    n-butanol 359.5
    acetonitrile 501.22
    DMF 1018.46
    toluene 335.76
    isobutanol 276.33
    1,4-dioxane 601.49
    methyl acetate 565.11
    THF 634.63
    2-butanone 626.53
    n-pentanol 295.77
    sec-butanol 349.82
    n-hexane 56.46
    ethylene glycol 57.65
    NMP 608.11
    cyclohexane 79.45
    DMSO 549.98
    n-butyl acetate 592.79
    n-octanol 256.5
    chloroform 1225.99
    n-propyl acetate 456.74
    acetic acid 399.42
    dichloromethane 1243.96
    cyclohexanone 693.05
    propylene glycol 77.02
    isopropyl acetate 294.54
    DMAc 872.8
    2-ethoxyethanol 361.31
    isopentanol 329.93
    n-heptane 42.77
    ethyl formate 395.06
    1,2-dichloroethane 893.56
    n-hexanol 323.87
    2-methoxyethanol 461.83
    isobutyl acetate 269.89
    tetrachloromethane 95.17
    n-pentyl acetate 290.3
    transcutol 1601.68
    n-heptanol 173.77
    ethylbenzene 261.56
    MIBK 284.77
    2-propoxyethanol 419.84
    tert-butanol 355.9
    MTBE 396.39
    2-butoxyethanol 279.65
    propionic acid 313.72
    o-xylene 223.86
    formic acid 103.56
    diethyl ether 436.44
    m-xylene 212.27
    p-xylene 276.48
    chlorobenzene 510.83
    dimethyl carbonate 213.49
    n-octane 27.85
    formamide 234.31
    cyclopentanone 629.16
    2-pentanone 465.38
    anisole 479.57
    cyclopentyl methyl ether 316.01
    gamma-butyrolactone 692.05
    1-methoxy-2-propanol 353.23
    pyridine 841.68
    3-pentanone 352.09
    furfural 738.22
    n-dodecane 28.63
    diethylene glycol 255.72
    diisopropyl ether 125.53
    tert-amyl alcohol 447.61
    acetylacetone 422.34
    n-hexadecane 32.86
    acetophenone 448.65
    methyl propionate 420.94
    isopentyl acetate 455.77
    trichloroethylene 1703.86
    n-nonanol 209.17
    cyclohexanol 319.39
    benzyl alcohol 332.15
    2-ethylhexanol 229.74
    isooctanol 149.96
    dipropyl ether 237.75
    1,2-dichlorobenzene 462.34
    ethyl lactate 180.59
    propylene carbonate 493.96
    n-methylformamide 428.64
    2-pentanol 296.65
    n-pentane 43.99
    1-propoxy-2-propanol 328.99
    1-methoxy-2-propyl acetate 357.42
    2-(2-methoxypropoxy) propanol 315.97
    mesitylene 133.75
    ε-caprolactone 601.86
    p-cymene 129.22
    epichlorohydrin 903.12
    1,1,1-trichloroethane 607.8
    2-aminoethanol 135.95
    morpholine-4-carbaldehyde 591.66
    sulfolane 625.38
    2,2,4-trimethylpentane 31.8
    2-methyltetrahydrofuran 497.15
    n-hexyl acetate 451.94
    isooctane 26.46
    2-(2-butoxyethoxy)ethanol 464.03
    sec-butyl acetate 294.18
    tert-butyl acetate 296.83
    decalin 59.96
    glycerin 105.93
    diglyme 848.56
    acrylic acid 289.18
    isopropyl myristate 169.05
    n-butyric acid 458.42
    acetyl acetate 303.63
    di(2-ethylhexyl) phthalate 128.22
    ethyl propionate 350.89
    nitromethane 814.83
    1,2-diethoxyethane 521.42
    benzonitrile 520.46
    trioctyl phosphate 103.2
    1-bromopropane 475.8
    gamma-valerolactone 713.01
    n-decanol 151.22
    triethyl phosphate 149.15
    4-methyl-2-pentanol 168.44
    propionitrile 497.37
    vinylene carbonate 518.11
    1,1,2-trichlorotrifluoroethane 493.68
    DMS 326.03
    cumene 160.26
    2-octanol 157.83
    2-hexanone 439.7
    octyl acetate 216.28
    limonene 172.01
    1,2-dimethoxyethane 733.76
    ethyl orthosilicate 141.05
    tributyl phosphate 138.45
    diacetone alcohol 340.82
    N,N-dimethylaniline 282.34
    acrylonitrile 658.54
    aniline 338.69
    1,3-propanediol 218.38
    bromobenzene 550.66
    dibromomethane 825.51
    1,1,2,2-tetrachloroethane 1206.61
    2-methyl-cyclohexyl acetate 236.81
    tetrabutyl urea 194.18
    diisobutyl methanol 134.99
    2-phenylethanol 306.31
    styrene 354.42
    dioctyl adipate 228.35
    dimethyl sulfate 270.01
    ethyl butyrate 380.69
    methyl lactate 183.64
    butyl lactate 219.96
    diethyl carbonate 284.36
    propanediol butyl ether 282.18
    triethyl orthoformate 223.3
    p-tert-butyltoluene 115.56
    methyl 4-tert-butylbenzoate 272.43
    morpholine 632.38
    tert-butylamine 240.23
    n-dodecanol 115.32
    dimethoxymethane 497.48
    ethylene carbonate 387.2
    cyrene 229.08
    2-ethoxyethyl acetate 358.48
    2-ethylhexyl acetate 352.57
    1,2,4-trichlorobenzene 498.32
    4-methylpyridine 774.48
    dibutyl ether 343.61
    2,6-dimethyl-4-heptanol 134.99
    DEF 661.51
    dimethyl isosorbide 415.58
    tetrachloroethylene 692.43
    eugenol 293.59
    triacetin 316.81
    span 80 245.61
    1,4-butanediol 104.83
    1,1-dichloroethane 784.15
    2-methyl-1-pentanol 297.65
    methyl formate 335.47
    2-methyl-1-butanol 330.06
    n-decane 45.12
    butyronitrile 512.54
    3,7-dimethyl-1-octanol 222.38
    1-chlorooctane 194.35
    1-chlorotetradecane 77.15
    n-nonane 44.26
    undecane 34.85
    tert-butylcyclohexane 53.95
    cyclooctane 29.66
    cyclopentanol 244.7
    tetrahydropyran 596.78
    tert-amyl methyl ether 340.11
    2,5,8-trioxanonane 541.22
    1-hexene 239.2
    2-isopropoxyethanol 263.27
    2,2,2-trifluoroethanol 117.88
    methyl butyrate 519.82

    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