Phenyl butyrate

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  • Identifiers

    CAS number
    4346-18-3

    Molecular formula
    C10H12O2

    SMILES
    CCCC(=O)OC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 75.66%
    Floral 73.19%
    Honey 57.94%
    Sweet 55.65%
    Animal 51.45%
    Phenolic 43.67%
    Balsamic 35.86%
    Rose 35.32%
    Tobacco 33.01%
    Aromatic 32.1%

     

    Flavor
    Sweet 80.91%
    Floral 47.87%
    Fruity 47.77%
    Balsam 47.7%
    Honey 44.21%
    Rose 32.62%
    Chocolate 31.58%
    Berry 28.3%
    Balsamic 27.96%
    Raspberry 27.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.07 (weak base)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 225.00 to 226.00 °C. @ 760.00 mm Hg

    Flash point

    • 93.2 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water; soluble in ether
    • Soluble (in ethanol)

  • Synonyms

    • phenyl butyrate
    • phenyl butanoate
    • 4346-18-3
    • Butanoic acid, phenyl ester
    • Butyric acid, phenyl ester
    • EINECS 224-405-9
    • UNII-R9K49A127H
    • AI3-11761
    • R9K49A127H
    • FEMA NO. 4621
    • DTXSID30195857
    • Ph ester
    • phenyl ethyl acetate
    • Butanoic acid, 9CI
    • SCHEMBL62921
    • DTXCID70118348
    • CHEBI:180407
    • STL280427
    • AKOS002952627
    • DB-051088
    • NS00007892
    • G30608
    • EN300-7815962
    • Q27288012
    • 224-405-9

  • Applications

    Phenyl butyrate (CAS 4346-18-3) is typically used as an aroma chemical, functioning as an odorant in perfumery and as a fragrance ingredient in cosmetics and personal care products. It may also be used as a solvent or processing aid in select industrial formulations and as an intermediate in organic synthesis for making other esters. In coatings, inks, and polymer-related applications, it is sometimes evaluated as a processing additive or chemical building block. Some household product formulations may include it as a fragrance component, subject to formulation controls. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1741.72
    methanol 1893.07
    isopropanol 1247.82
    water 1.09
    ethyl acetate 1192.97
    n-propanol 1206.52
    acetone 2505.13
    n-butanol 1246.65
    acetonitrile 1559.79
    DMF 4228.15
    toluene 483.76
    isobutanol 943.47
    1,4-dioxane 1769.32
    methyl acetate 1065.69
    THF 2207.22
    2-butanone 1444.3
    n-pentanol 830.71
    sec-butanol 1031.63
    n-hexane 193.04
    ethylene glycol 261.91
    NMP 2099.99
    cyclohexane 258.7
    DMSO 3091.3
    n-butyl acetate 1175.96
    n-octanol 585.78
    chloroform 3715.48
    n-propyl acetate 797.35
    acetic acid 2104.5
    dichloromethane 3245.64
    cyclohexanone 2049.93
    propylene glycol 390.35
    isopropyl acetate 676.41
    DMAc 2043.05
    2-ethoxyethanol 774.94
    isopentanol 940.22
    n-heptane 88.24
    ethyl formate 976.49
    1,2-dichloroethane 2222.57
    n-hexanol 844.42
    2-methoxyethanol 1602.42
    isobutyl acetate 457.23
    tetrachloromethane 245.11
    n-pentyl acetate 576.04
    transcutol 3044.94
    n-heptanol 353.2
    ethylbenzene 363.49
    MIBK 632.57
    2-propoxyethanol 1037.42
    tert-butanol 1215.13
    MTBE 862.72
    2-butoxyethanol 550.89
    propionic acid 1108.89
    o-xylene 289.35
    formic acid 441.3
    diethyl ether 1027.49
    m-xylene 289.67
    p-xylene 471.14
    chlorobenzene 1106.59
    dimethyl carbonate 522.53
    n-octane 51.35
    formamide 773.19
    cyclopentanone 2055.17
    2-pentanone 1274.6
    anisole 850.44
    cyclopentyl methyl ether 890.41
    gamma-butyrolactone 2170.61
    1-methoxy-2-propanol 1117.96
    pyridine 1989.72
    3-pentanone 813.46
    furfural 1873.43
    n-dodecane 57.55
    diethylene glycol 725.88
    diisopropyl ether 268.33
    tert-amyl alcohol 933.8
    acetylacetone 1257.91
    n-hexadecane 66.23
    acetophenone 754.14
    methyl propionate 949.79
    isopentyl acetate 856.23
    trichloroethylene 3829.79
    n-nonanol 459.48
    cyclohexanol 1001.46
    benzyl alcohol 619.69
    2-ethylhexanol 466.92
    isooctanol 281.56
    dipropyl ether 534.01
    1,2-dichlorobenzene 959.69
    ethyl lactate 376.38
    propylene carbonate 1298.13
    n-methylformamide 1449.72
    2-pentanol 782.96
    n-pentane 130.32
    1-propoxy-2-propanol 778.55
    1-methoxy-2-propyl acetate 758.72
    2-(2-methoxypropoxy) propanol 631.06
    mesitylene 190.5
    ε-caprolactone 1439.81
    p-cymene 190.92
    epichlorohydrin 2278.5
    1,1,1-trichloroethane 1418.36
    2-aminoethanol 568.54
    morpholine-4-carbaldehyde 1558.35
    sulfolane 2347.62
    2,2,4-trimethylpentane 60.21
    2-methyltetrahydrofuran 1431.94
    n-hexyl acetate 1012.76
    isooctane 49.36
    2-(2-butoxyethoxy)ethanol 948.77
    sec-butyl acetate 484.15
    tert-butyl acetate 646.49
    decalin 120.24
    glycerin 482.37
    diglyme 1520.96
    acrylic acid 1072.42
    isopropyl myristate 353.49
    n-butyric acid 1660.3
    acetyl acetate 810.48
    di(2-ethylhexyl) phthalate 286.78
    ethyl propionate 702.43
    nitromethane 2828.99
    1,2-diethoxyethane 950.16
    benzonitrile 1044.94
    trioctyl phosphate 227.29
    1-bromopropane 1246.03
    gamma-valerolactone 2120.93
    n-decanol 329.17
    triethyl phosphate 281.12
    4-methyl-2-pentanol 364.59
    propionitrile 1174.21
    vinylene carbonate 1303.58
    1,1,2-trichlorotrifluoroethane 1359.58
    DMS 694.55
    cumene 233.87
    2-octanol 312.37
    2-hexanone 918.55
    octyl acetate 473.12
    limonene 298.11
    1,2-dimethoxyethane 1672.36
    ethyl orthosilicate 252.4
    tributyl phosphate 327.87
    diacetone alcohol 721.29
    N,N-dimethylaniline 488.45
    acrylonitrile 1456.58
    aniline 758.72
    1,3-propanediol 908.93
    bromobenzene 1184.12
    dibromomethane 2266.46
    1,1,2,2-tetrachloroethane 3040.4
    2-methyl-cyclohexyl acetate 452.23
    tetrabutyl urea 423.51
    diisobutyl methanol 247.95
    2-phenylethanol 594.7
    styrene 580.37
    dioctyl adipate 491.66
    dimethyl sulfate 712.38
    ethyl butyrate 709.04
    methyl lactate 472.89
    butyl lactate 476.86
    diethyl carbonate 513.72
    propanediol butyl ether 714.7
    triethyl orthoformate 411.44
    p-tert-butyltoluene 177.47
    methyl 4-tert-butylbenzoate 533.28
    morpholine 1953.77
    tert-butylamine 763.97
    n-dodecanol 249.62
    dimethoxymethane 1373.0
    ethylene carbonate 1041.83
    cyrene 463.43
    2-ethoxyethyl acetate 672.28
    2-ethylhexyl acetate 611.67
    1,2,4-trichlorobenzene 1004.56
    4-methylpyridine 1774.51
    dibutyl ether 723.73
    2,6-dimethyl-4-heptanol 247.95
    DEF 1571.98
    dimethyl isosorbide 824.26
    tetrachloroethylene 1611.94
    eugenol 586.74
    triacetin 721.4
    span 80 583.6
    1,4-butanediol 367.85
    1,1-dichloroethane 1989.8
    2-methyl-1-pentanol 688.92
    methyl formate 1096.93
    2-methyl-1-butanol 891.02
    n-decane 91.76
    butyronitrile 1454.77
    3,7-dimethyl-1-octanol 461.37
    1-chlorooctane 396.11
    1-chlorotetradecane 154.25
    n-nonane 91.63
    undecane 70.63
    tert-butylcyclohexane 104.62
    cyclooctane 62.51
    cyclopentanol 969.59
    tetrahydropyran 1834.83
    tert-amyl methyl ether 602.59
    2,5,8-trioxanonane 1052.69
    1-hexene 738.53
    2-isopropoxyethanol 526.37
    2,2,2-trifluoroethanol 436.21
    methyl butyrate 1081.18

    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