2-Phenylpropyl butyrate

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  • Identifiers

    CAS number
    80866-83-7

    Molecular formula
    C13H18O2

    SMILES
    CCCC(=O)OCC(C)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 91.02%
    Floral 81.89%
    Sweet 80.42%
    Rose 55.6%
    Balsamic 51.72%
    Honey 50.82%
    Tropical 49.11%
    Green 48.8%
    Apricot 45.75%
    Spicy 44.99%

     

    Flavor
    Fruity 66.3%
    Sweet 64.41%
    Floral 63.98%
    Rose 59.66%
    Green 59.01%
    Waxy 47.83%
    Honey 45.79%
    Tropical 45.63%
    Balsam 38.6%
    Chocolate 31.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.6 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 268.00 to 272.00 °C. @ 760.00 mm Hg

    Flash point

    • 125.31 ˚C est.

    Solubility expt.

    • Soluble in oils; Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-Phenylpropyl butyrate
    • 2-phenylpropyl butanoate
    • 80866-83-7
    • Hydratropyl butyrate
    • Butanoic acid, 2-phenylpropyl ester
    • FEMA No. 2891
    • Methylphenethyl butyrate, beta-
    • EINECS 279-587-2
    • UNII-38G1J8241Q
    • 38G1J8241Q
    • Butanoic acid,2-phenylpropyl ester
    • SKLXPNZDCBPHCS-UHFFFAOYSA-
    • DTXSID70868598
    • 2-PHENYLPROPYL BUTYRATE [FHFI]
    • (+/-)-2-PHENYLPROPYL BUTYRATE
    • 2-PHENYLPROPYL BUTYRATE, (+/-)-
    • 2-phenyl propyl butyrate
    • 2-Phenylpropyl n-butyrate
    • SCHEMBL1172092
    • FEMA 2891
    • DTXCID70816690
    • AKOS028108700
    • alpha-Phenylpropyl alcohol butyric ester
    • DB-056470
    • NS00060899
    • Q27256783
    • 279-587-2

  • Applications

    2-Phenylpropyl butyrate is an ester of butyric acid with a 2-phenylpropyl alcohol and is primarily used as a fragrance ingredient and odorant in industry. Real-world applications include use in perfumery and cosmetics as a fragrance component; potential evaluation as a flavoring additive in food processing under regulatory controls; use as a solvent or processing aid in coatings, inks, and polymer formulations; potential role as a plasticizer or processing aid in polymers; function as a fixative in fragrance formulations to improve scent longevity; it may appear in household products to impart or carry aroma. Application scope depends on purity and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1803.05
    methanol 2300.33
    isopropanol 1078.1
    water 0.39
    ethyl acetate 2079.09
    n-propanol 1289.84
    acetone 2640.57
    n-butanol 1159.72
    acetonitrile 2625.0
    DMF 2216.08
    toluene 688.0
    isobutanol 887.55
    1,4-dioxane 2383.75
    methyl acetate 1482.77
    THF 1806.12
    2-butanone 1753.59
    n-pentanol 809.8
    sec-butanol 874.89
    n-hexane 126.62
    ethylene glycol 126.86
    NMP 1300.72
    cyclohexane 181.17
    DMSO 1932.85
    n-butyl acetate 1342.74
    n-octanol 270.63
    chloroform 4862.94
    n-propyl acetate 1181.05
    acetic acid 1269.37
    dichloromethane 4960.2
    cyclohexanone 2166.32
    propylene glycol 209.2
    isopropyl acetate 1080.39
    DMAc 1489.8
    2-ethoxyethanol 941.98
    isopentanol 1008.08
    n-heptane 39.1
    ethyl formate 953.18
    1,2-dichloroethane 3398.82
    n-hexanol 723.52
    2-methoxyethanol 1305.49
    isobutyl acetate 666.92
    tetrachloromethane 374.97
    n-pentyl acetate 554.96
    transcutol 3444.69
    n-heptanol 251.39
    ethylbenzene 391.58
    MIBK 768.9
    2-propoxyethanol 1040.43
    tert-butanol 1147.8
    MTBE 1398.32
    2-butoxyethanol 483.19
    propionic acid 867.81
    o-xylene 346.1
    formic acid 279.38
    diethyl ether 2062.41
    m-xylene 398.11
    p-xylene 477.73
    chlorobenzene 1233.68
    dimethyl carbonate 419.83
    n-octane 22.57
    formamide 564.76
    cyclopentanone 1900.85
    2-pentanone 1476.1
    anisole 840.79
    cyclopentyl methyl ether 957.51
    gamma-butyrolactone 1832.72
    1-methoxy-2-propanol 878.73
    pyridine 1941.25
    3-pentanone 1021.03
    furfural 1462.78
    n-dodecane 22.15
    diethylene glycol 589.99
    diisopropyl ether 361.2
    tert-amyl alcohol 885.88
    acetylacetone 1290.68
    n-hexadecane 26.6
    acetophenone 733.87
    methyl propionate 1082.95
    isopentyl acetate 1053.57
    trichloroethylene 4955.0
    n-nonanol 236.87
    cyclohexanol 856.83
    benzyl alcohol 598.19
    2-ethylhexanol 397.92
    isooctanol 222.22
    dipropyl ether 513.7
    1,2-dichlorobenzene 1041.82
    ethyl lactate 315.19
    propylene carbonate 1022.63
    n-methylformamide 976.44
    2-pentanol 693.13
    n-pentane 77.58
    1-propoxy-2-propanol 683.9
    1-methoxy-2-propyl acetate 824.27
    2-(2-methoxypropoxy) propanol 507.83
    mesitylene 238.38
    ε-caprolactone 1578.85
    p-cymene 171.2
    epichlorohydrin 2651.17
    1,1,1-trichloroethane 2053.99
    2-aminoethanol 377.79
    morpholine-4-carbaldehyde 1336.89
    sulfolane 1690.67
    2,2,4-trimethylpentane 52.4
    2-methyltetrahydrofuran 1523.99
    n-hexyl acetate 734.11
    isooctane 42.11
    2-(2-butoxyethoxy)ethanol 742.8
    sec-butyl acetate 708.61
    tert-butyl acetate 884.33
    decalin 98.86
    glycerin 255.91
    diglyme 1465.27
    acrylic acid 647.86
    isopropyl myristate 251.42
    n-butyric acid 1388.46
    acetyl acetate 912.67
    di(2-ethylhexyl) phthalate 219.53
    ethyl propionate 854.68
    nitromethane 2327.51
    1,2-diethoxyethane 1260.9
    benzonitrile 929.74
    trioctyl phosphate 151.83
    1-bromopropane 1657.69
    gamma-valerolactone 2013.45
    n-decanol 171.64
    triethyl phosphate 258.14
    4-methyl-2-pentanol 364.2
    propionitrile 1474.74
    vinylene carbonate 1028.56
    1,1,2-trichlorotrifluoroethane 1186.51
    DMS 610.05
    cumene 234.39
    2-octanol 184.24
    2-hexanone 1078.64
    octyl acetate 322.61
    limonene 263.08
    1,2-dimethoxyethane 1843.47
    ethyl orthosilicate 246.17
    tributyl phosphate 225.2
    diacetone alcohol 719.97
    N,N-dimethylaniline 447.8
    acrylonitrile 1592.23
    aniline 790.94
    1,3-propanediol 653.7
    bromobenzene 1377.71
    dibromomethane 3054.02
    1,1,2,2-tetrachloroethane 3943.93
    2-methyl-cyclohexyl acetate 452.92
    tetrabutyl urea 272.11
    diisobutyl methanol 206.0
    2-phenylethanol 529.09
    styrene 584.26
    dioctyl adipate 351.3
    dimethyl sulfate 546.31
    ethyl butyrate 722.93
    methyl lactate 323.93
    butyl lactate 373.3
    diethyl carbonate 472.13
    propanediol butyl ether 433.26
    triethyl orthoformate 411.64
    p-tert-butyltoluene 160.3
    methyl 4-tert-butylbenzoate 434.6
    morpholine 2564.85
    tert-butylamine 701.52
    n-dodecanol 126.75
    dimethoxymethane 1235.16
    ethylene carbonate 917.94
    cyrene 411.77
    2-ethoxyethyl acetate 774.81
    2-ethylhexyl acetate 746.36
    1,2,4-trichlorobenzene 1075.92
    4-methylpyridine 1882.86
    dibutyl ether 500.43
    2,6-dimethyl-4-heptanol 206.0
    DEF 1547.49
    dimethyl isosorbide 767.02
    tetrachloroethylene 2187.3
    eugenol 463.77
    triacetin 598.99
    span 80 407.25
    1,4-butanediol 277.46
    1,1-dichloroethane 2978.49
    2-methyl-1-pentanol 752.6
    methyl formate 728.47
    2-methyl-1-butanol 908.35
    n-decane 36.42
    butyronitrile 1555.58
    3,7-dimethyl-1-octanol 294.84
    1-chlorooctane 229.83
    1-chlorotetradecane 82.95
    n-nonane 33.7
    undecane 27.17
    tert-butylcyclohexane 88.04
    cyclooctane 42.41
    cyclopentanol 652.43
    tetrahydropyran 2315.38
    tert-amyl methyl ether 784.17
    2,5,8-trioxanonane 859.28
    1-hexene 684.69
    2-isopropoxyethanol 674.69
    2,2,2-trifluoroethanol 319.68
    methyl butyrate 1332.05

    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