Phenyl valerate

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  • Identifiers

    CAS number
    20115-23-5

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Fruity 65.54%
    Floral 57.97%
    Animal 56.03%
    Honey 48.16%
    Phenolic 40.96%
    Sweet 37.8%
    Balsamic 35.66%
    Herbal 33.22%
    Tobacco 31.51%
    Aromatic 29.98%

     

    Flavor
    Sweet 63.88%
    Balsam 37.69%
    Waxy 33.35%
    Honey 33.16%
    Floral 32.59%
    Fruity 30.57%
    Woody 29.43%
    Herbal 28.11%
    Animal 25.43%
    Green 24.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.87 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    237°C

    Flash point

    • 107.03 ˚C est.

  • Synonyms

    • Phenyl valerate
    • PHENYL PENTANOATE
    • 20115-23-5
    • Pentanoic acid, phenyl ester
    • Valeric acid, phenyl ester
    • EINECS 243-521-0
    • DTXSID50173930
    • Phenyl pentanoate #
    • pentanoic acid phenyl ester
    • SCHEMBL643462
    • DTXCID6096421
    • BCP26152
    • STL477958
    • AKOS003028181
    • DB-244723
    • NS00026523
    • G69632
    • F2158-2213
    • Pentanoic acid, phenyl ester;Valeric acid, phenyl ester
    • 243-521-0

  • Applications

    Phenyl valerate (CAS 20115-23-5) is used primarily as a fragrance ingredient in perfumery, contributing fruity/floral notes and often acting as a mild fixative to extend fragrance lifetimes in cosmetic and household formulations. It is encountered in cosmetics and personal care products for its scent profile, and may be evaluated for use as an aroma compound in flavors. It can also serve as an intermediate in fragrance synthesis and formulation work, and may function as an odorant in household products such as air fresheners and cleaners, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1893.44
    methanol 2280.87
    isopropanol 1104.36
    water 0.37
    ethyl acetate 1092.36
    n-propanol 1198.2
    acetone 2400.33
    n-butanol 1152.74
    acetonitrile 1417.02
    DMF 4134.37
    toluene 456.69
    isobutanol 894.37
    1,4-dioxane 1627.87
    methyl acetate 990.17
    THF 1773.83
    2-butanone 1283.4
    n-pentanol 759.59
    sec-butanol 909.0
    n-hexane 115.33
    ethylene glycol 250.54
    NMP 1515.29
    cyclohexane 149.45
    DMSO 2975.26
    n-butyl acetate 1017.08
    n-octanol 358.0
    chloroform 2737.41
    n-propyl acetate 683.95
    acetic acid 1489.55
    dichloromethane 2465.27
    cyclohexanone 1596.72
    propylene glycol 384.24
    isopropyl acetate 632.18
    DMAc 2063.67
    2-ethoxyethanol 812.36
    isopentanol 897.24
    n-heptane 43.68
    ethyl formate 762.25
    1,2-dichloroethane 1984.32
    n-hexanol 784.16
    2-methoxyethanol 1632.93
    isobutyl acetate 420.17
    tetrachloromethane 161.08
    n-pentyl acetate 433.18
    transcutol 2955.83
    n-heptanol 258.82
    ethylbenzene 303.46
    MIBK 584.09
    2-propoxyethanol 1060.43
    tert-butanol 1101.82
    MTBE 865.39
    2-butoxyethanol 495.32
    propionic acid 831.79
    o-xylene 228.97
    formic acid 353.68
    diethyl ether 1030.47
    m-xylene 247.32
    p-xylene 366.95
    chlorobenzene 863.11
    dimethyl carbonate 409.37
    n-octane 26.26
    formamide 590.84
    cyclopentanone 1637.87
    2-pentanone 1114.62
    anisole 711.93
    cyclopentyl methyl ether 700.97
    gamma-butyrolactone 1522.22
    1-methoxy-2-propanol 1097.95
    pyridine 1724.23
    3-pentanone 689.66
    furfural 1427.37
    n-dodecane 31.63
    diethylene glycol 744.94
    diisopropyl ether 221.37
    tert-amyl alcohol 828.1
    acetylacetone 1117.26
    n-hexadecane 36.32
    acetophenone 602.66
    methyl propionate 814.67
    isopentyl acetate 802.62
    trichloroethylene 3189.53
    n-nonanol 298.2
    cyclohexanol 763.42
    benzyl alcohol 559.2
    2-ethylhexanol 402.44
    isooctanol 214.27
    dipropyl ether 416.35
    1,2-dichlorobenzene 734.38
    ethyl lactate 293.36
    propylene carbonate 886.92
    n-methylformamide 1164.3
    2-pentanol 632.53
    n-pentane 70.1
    1-propoxy-2-propanol 720.13
    1-methoxy-2-propyl acetate 688.19
    2-(2-methoxypropoxy) propanol 582.29
    mesitylene 155.37
    ε-caprolactone 1105.39
    p-cymene 141.73
    epichlorohydrin 2003.48
    1,1,1-trichloroethane 1173.73
    2-aminoethanol 573.98
    morpholine-4-carbaldehyde 1385.17
    sulfolane 1619.28
    2,2,4-trimethylpentane 39.8
    2-methyltetrahydrofuran 1140.31
    n-hexyl acetate 718.47
    isooctane 33.44
    2-(2-butoxyethoxy)ethanol 813.09
    sec-butyl acetate 436.93
    tert-butyl acetate 607.65
    decalin 78.99
    glycerin 452.91
    diglyme 1451.85
    acrylic acid 744.0
    isopropyl myristate 246.54
    n-butyric acid 1352.36
    acetyl acetate 688.99
    di(2-ethylhexyl) phthalate 233.66
    ethyl propionate 546.8
    nitromethane 2193.19
    1,2-diethoxyethane 897.04
    benzonitrile 819.75
    trioctyl phosphate 166.75
    1-bromopropane 1033.44
    gamma-valerolactone 1755.53
    n-decanol 214.33
    triethyl phosphate 210.44
    4-methyl-2-pentanol 324.84
    propionitrile 1058.04
    vinylene carbonate 909.14
    1,1,2-trichlorotrifluoroethane 1136.03
    DMS 547.8
    cumene 182.54
    2-octanol 201.93
    2-hexanone 812.34
    octyl acetate 335.4
    limonene 232.37
    1,2-dimethoxyethane 1677.06
    ethyl orthosilicate 193.66
    tributyl phosphate 232.12
    diacetone alcohol 673.35
    N,N-dimethylaniline 418.33
    acrylonitrile 1312.37
    aniline 652.51
    1,3-propanediol 899.83
    bromobenzene 917.01
    dibromomethane 1702.46
    1,1,2,2-tetrachloroethane 2632.08
    2-methyl-cyclohexyl acetate 354.91
    tetrabutyl urea 308.07
    diisobutyl methanol 201.03
    2-phenylethanol 529.86
    styrene 494.88
    dioctyl adipate 366.85
    dimethyl sulfate 553.27
    ethyl butyrate 554.49
    methyl lactate 394.29
    butyl lactate 372.01
    diethyl carbonate 381.48
    propanediol butyl ether 560.63
    triethyl orthoformate 319.43
    p-tert-butyltoluene 134.23
    methyl 4-tert-butylbenzoate 399.16
    morpholine 1951.17
    tert-butylamine 631.66
    n-dodecanol 161.44
    dimethoxymethane 1314.68
    ethylene carbonate 740.26
    cyrene 353.75
    2-ethoxyethyl acetate 582.05
    2-ethylhexyl acetate 567.32
    1,2,4-trichlorobenzene 770.88
    4-methylpyridine 1600.53
    dibutyl ether 496.99
    2,6-dimethyl-4-heptanol 201.03
    DEF 1433.06
    dimethyl isosorbide 684.34
    tetrachloroethylene 1365.19
    eugenol 481.12
    triacetin 528.91
    span 80 464.81
    1,4-butanediol 330.31
    1,1-dichloroethane 1626.23
    2-methyl-1-pentanol 641.68
    methyl formate 861.69
    2-methyl-1-butanol 835.66
    n-decane 48.84
    butyronitrile 1225.04
    3,7-dimethyl-1-octanol 349.26
    1-chlorooctane 250.43
    1-chlorotetradecane 96.18
    n-nonane 45.42
    undecane 38.2
    tert-butylcyclohexane 70.83
    cyclooctane 33.81
    cyclopentanol 686.71
    tetrahydropyran 1579.16
    tert-amyl methyl ether 552.75
    2,5,8-trioxanonane 974.21
    1-hexene 582.62
    2-isopropoxyethanol 525.79
    2,2,2-trifluoroethanol 290.45
    methyl butyrate 874.17

    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