Pentyl phenylacetate

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  • Identifiers

    CAS number
    5137-52-0

    Molecular formula
    C13H18O2

    SMILES
    CCCCCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Sweet 82.87%
    Floral 77.91%
    Fruity 73.96%
    Honey 72.55%
    Rose 69.91%
    Balsamic 54.08%
    Cocoa 42.86%
    Chocolate 40.36%
    Waxy 37.64%
    Winey 36.45%

     

    Flavor
    Sweet 72.44%
    Rose 60.56%
    Honey 60.31%
    Green 55.94%
    Waxy 54.25%
    Floral 50.55%
    Balsam 48.93%
    Fruity 42.7%
    Chocolate 42.56%
    Cocoa 34.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.21 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 266.00 to 269.00 °C. @ 760.00 mm Hg

    Flash point

    • 126.61 ˚C est.

  • Synonyms

    • Amyl phenylacetate
    • Pentyl phenylacetate
    • 5137-52-0
    • pentyl 2-phenylacetate
    • Benzeneacetic acid, pentyl ester
    • Amylphenyl acetate
    • n-Amyl phenylacetate
    • Acetic acid, phenyl-, pentyl ester
    • 7ET3LE4BID
    • EINECS 225-895-7
    • NSC 46135
    • NSC-46135
    • AI3-24154
    • Phenylacetic Acid Pentyl Ester
    • DTXSID7063714
    • Acetic acid, phenyl-, pentyl ester (8CI)
    • UNII-7ET3LE4BID
    • Amylphenylacetat
    • MFCD00027272
    • Phenylacetic Acid Amyl Ester
    • SCHEMBL539127
    • Phenylacetic acid, pentyl ester
    • DTXCID6041006
    • 2-phenyl-acetic acid pentyl ester
    • BCP32511
    • FAA13752
    • NSC46135
    • AKOS015890785
    • AS-56955
    • DB-051954
    • A2680
    • NS00011977
    • A12588
    • Q27268169
    • Amyl phenylacetate;Pentyl 2-phenylacetate;Benzeneacetic acid, pentyl ester
    • 225-895-7

  • Applications

    Pentyl phenylacetate, CAS 5137-52-0, is primarily used as a fragrance ingredient in perfumery, contributing fruity to floral notes; it is also used in cosmetics and personal care formulations as a fragrance component. In household products, it serves as an odorant or fragrance additive in air fresheners and cleaning products. In industrial manufacturing and coatings/inks, it may be used as a fragrance additive or scent release constituent in polymer formulations. It can also be evaluated as an intermediate in organic synthesis, and in flavor contexts may be considered for flavor formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1926.07
    methanol 2900.81
    isopropanol 876.46
    water 0.25
    ethyl acetate 1286.49
    n-propanol 1225.41
    acetone 2099.48
    n-butanol 1026.68
    acetonitrile 1613.53
    DMF 2745.74
    toluene 452.66
    isobutanol 734.65
    1,4-dioxane 1706.05
    methyl acetate 976.36
    THF 1520.76
    2-butanone 1213.69
    n-pentanol 627.05
    sec-butanol 646.07
    n-hexane 71.47
    ethylene glycol 240.72
    NMP 1258.56
    cyclohexane 127.01
    DMSO 3069.72
    n-butyl acetate 836.67
    n-octanol 161.13
    chloroform 3202.58
    n-propyl acetate 669.13
    acetic acid 1191.22
    dichloromethane 3338.8
    cyclohexanone 1533.94
    propylene glycol 358.58
    isopropyl acetate 621.68
    DMAc 1660.04
    2-ethoxyethanol 816.99
    isopentanol 705.89
    n-heptane 27.1
    ethyl formate 642.17
    1,2-dichloroethane 2687.65
    n-hexanol 590.02
    2-methoxyethanol 1531.02
    isobutyl acetate 383.58
    tetrachloromethane 198.55
    n-pentyl acetate 307.43
    transcutol 3124.74
    n-heptanol 163.34
    ethylbenzene 239.47
    MIBK 493.35
    2-propoxyethanol 915.93
    tert-butanol 804.35
    MTBE 699.89
    2-butoxyethanol 383.0
    propionic acid 740.26
    o-xylene 226.3
    formic acid 340.76
    diethyl ether 1161.1
    m-xylene 249.46
    p-xylene 284.42
    chlorobenzene 849.44
    dimethyl carbonate 340.42
    n-octane 11.65
    formamide 648.81
    cyclopentanone 1428.66
    2-pentanone 995.87
    anisole 603.5
    cyclopentyl methyl ether 702.61
    gamma-butyrolactone 1409.88
    1-methoxy-2-propanol 960.32
    pyridine 1702.84
    3-pentanone 706.9
    furfural 1190.64
    n-dodecane 11.82
    diethylene glycol 684.28
    diisopropyl ether 198.01
    tert-amyl alcohol 584.02
    acetylacetone 1027.28
    n-hexadecane 13.92
    acetophenone 521.93
    methyl propionate 860.71
    isopentyl acetate 625.84
    trichloroethylene 3709.68
    n-nonanol 143.26
    cyclohexanol 677.85
    benzyl alcohol 482.85
    2-ethylhexanol 290.16
    isooctanol 141.33
    dipropyl ether 365.86
    1,2-dichlorobenzene 722.4
    ethyl lactate 252.1
    propylene carbonate 752.77
    n-methylformamide 1041.49
    2-pentanol 494.41
    n-pentane 44.61
    1-propoxy-2-propanol 578.87
    1-methoxy-2-propyl acetate 609.87
    2-(2-methoxypropoxy) propanol 439.5
    mesitylene 144.85
    ε-caprolactone 1073.02
    p-cymene 113.62
    epichlorohydrin 2079.6
    1,1,1-trichloroethane 1279.85
    2-aminoethanol 611.6
    morpholine-4-carbaldehyde 1242.06
    sulfolane 1588.99
    2,2,4-trimethylpentane 27.18
    2-methyltetrahydrofuran 1017.89
    n-hexyl acetate 440.65
    isooctane 21.77
    2-(2-butoxyethoxy)ethanol 658.07
    sec-butyl acetate 402.36
    tert-butyl acetate 554.77
    decalin 60.05
    glycerin 404.98
    diglyme 1322.09
    acrylic acid 613.6
    isopropyl myristate 160.15
    n-butyric acid 1138.89
    acetyl acetate 662.47
    di(2-ethylhexyl) phthalate 165.16
    ethyl propionate 534.74
    nitromethane 2074.86
    1,2-diethoxyethane 908.69
    benzonitrile 650.59
    trioctyl phosphate 106.91
    1-bromopropane 1147.91
    gamma-valerolactone 1625.72
    n-decanol 104.87
    triethyl phosphate 184.0
    4-methyl-2-pentanol 222.58
    propionitrile 966.3
    vinylene carbonate 747.87
    1,1,2-trichlorotrifluoroethane 1179.12
    DMS 454.84
    cumene 150.15
    2-octanol 105.19
    2-hexanone 698.18
    octyl acetate 199.66
    limonene 184.21
    1,2-dimethoxyethane 1386.34
    ethyl orthosilicate 173.14
    tributyl phosphate 160.74
    diacetone alcohol 568.55
    N,N-dimethylaniline 334.96
    acrylonitrile 1169.66
    aniline 633.08
    1,3-propanediol 789.91
    bromobenzene 903.27
    dibromomethane 2070.28
    1,1,2,2-tetrachloroethane 3136.88
    2-methyl-cyclohexyl acetate 314.19
    tetrabutyl urea 209.29
    diisobutyl methanol 143.43
    2-phenylethanol 423.66
    styrene 400.6
    dioctyl adipate 259.15
    dimethyl sulfate 504.28
    ethyl butyrate 472.3
    methyl lactate 364.4
    butyl lactate 276.62
    diethyl carbonate 322.24
    propanediol butyl ether 367.18
    triethyl orthoformate 277.1
    p-tert-butyltoluene 103.98
    methyl 4-tert-butylbenzoate 304.7
    morpholine 2193.76
    tert-butylamine 455.52
    n-dodecanol 78.82
    dimethoxymethane 1116.09
    ethylene carbonate 654.5
    cyrene 324.35
    2-ethoxyethyl acetate 512.26
    2-ethylhexyl acetate 458.29
    1,2,4-trichlorobenzene 790.96
    4-methylpyridine 1341.07
    dibutyl ether 319.86
    2,6-dimethyl-4-heptanol 143.43
    DEF 1170.12
    dimethyl isosorbide 621.39
    tetrachloroethylene 1646.63
    eugenol 347.74
    triacetin 427.63
    span 80 340.82
    1,4-butanediol 294.7
    1,1-dichloroethane 1850.33
    2-methyl-1-pentanol 502.43
    methyl formate 654.88
    2-methyl-1-butanol 645.82
    n-decane 18.91
    butyronitrile 962.92
    3,7-dimethyl-1-octanol 198.6
    1-chlorooctane 128.88
    1-chlorotetradecane 48.75
    n-nonane 17.5
    undecane 14.24
    tert-butylcyclohexane 48.35
    cyclooctane 26.48
    cyclopentanol 559.51
    tetrahydropyran 1672.5
    tert-amyl methyl ether 418.43
    2,5,8-trioxanonane 819.42
    1-hexene 428.74
    2-isopropoxyethanol 524.93
    2,2,2-trifluoroethanol 260.82
    methyl butyrate 802.73

    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