Phenethyl valerate

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  • Identifiers

    CAS number
    7460-74-4

    Molecular formula
    C13H18O2

    SMILES
    CCCCC(=O)OCCC1=CC=CC=C1

  • Odor profile

    Fruity 85.69%
    Floral 79.27%
    Sweet 69.86%
    Rose 68.84%
    Honey 58.68%
    Balsamic 45.44%
    Apple 44.21%
    Pineapple 43.12%
    Apricot 41.33%
    Winey 40.78%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 268.00 °C. @ 760.00 mm Hg

    Flash point est.
    129.15 ˚C

  • Synonyms

    • Phenethyl valerate
    • 2-Phenylethyl pentanoate
    • 7460-74-4
    • Pentanoic acid, 2-phenylethyl ester
    • Phenylethyl valerate
    • 2-Phenethyl pentanoate
    • 2-Phenethyl valerate
    • Valeric acid, phenethyl ester
    • UNII-ZXI2952JET
    • ZXI2952JET
    • beta-PHENYLETHYL VALERATE
    • NSC 404213
    • Phenylethyl pentanoate
    • Phenylethyl N-valerate
    • EINECS 231-246-9
    • NSC-404213
    • valeric acid phenethyl ester
    • AI3-02945
    • DTXSID9064712
    • CHEBI:87323
    • Valeric acid, 2-phenylethyl ester
    • VALERICACIDPHENYLETHYLESTER
    • Pentanoic acid,2-phenylethyl ester
    • phenethyl pentanoate
    • Valerate phenethyl ester
    • 2-Phenethyl valeric acid
    • 2-Phenylethyl pentanoic acid
    • SCHEMBL873120
    • DTXCID4047705
    • BCP32509
    • NSC404213
    • Valeric acid, phenethyl ester (8CI)
    • AKOS017169860
    • NS00022745
    • A12817
    • Q27159525
    • 2-Phenethyl pentanoate;Pentanoic acid, 2-phenylethyl ester
    • 231-246-9
    • 237-342-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1427.94
    methanol 2223.69
    isopropanol 654.72
    water 0.3
    ethyl acetate 1246.58
    n-propanol 878.43
    acetone 1618.45
    n-butanol 729.44
    acetonitrile 1513.68
    DMF 1743.11
    toluene 423.59
    isobutanol 529.18
    1,4-dioxane 1690.85
    methyl acetate 871.49
    THF 1168.56
    2-butanone 979.24
    n-pentanol 536.09
    sec-butanol 492.27
    n-hexane 58.99
    ethylene glycol 148.78
    NMP 881.99
    cyclohexane 108.06
    DMSO 2149.64
    n-butyl acetate 805.78
    n-octanol 144.15
    chloroform 3206.72
    n-propyl acetate 709.41
    acetic acid 1054.08
    dichloromethane 3520.96
    cyclohexanone 1290.49
    propylene glycol 212.44
    isopropyl acetate 582.45
    DMAc 1210.51
    2-ethoxyethanol 720.52
    isopentanol 551.52
    n-heptane 24.53
    ethyl formate 589.16
    1,2-dichloroethane 2362.49
    n-hexanol 468.52
    2-methoxyethanol 1089.43
    isobutyl acetate 395.92
    tetrachloromethane 205.02
    n-pentyl acetate 316.81
    transcutol 2861.76
    n-heptanol 146.23
    ethylbenzene 233.86
    MIBK 421.03
    2-propoxyethanol 724.02
    tert-butanol 656.51
    MTBE 636.11
    2-butoxyethanol 335.41
    propionic acid 641.97
    o-xylene 219.56
    formic acid 282.49
    diethyl ether 1112.67
    m-xylene 230.85
    p-xylene 279.81
    chlorobenzene 781.82
    dimethyl carbonate 267.29
    n-octane 12.0
    formamide 534.34
    cyclopentanone 1160.86
    2-pentanone 799.77
    anisole 558.33
    cyclopentyl methyl ether 543.59
    gamma-butyrolactone 1179.16
    1-methoxy-2-propanol 666.16
    pyridine 1526.93
    3-pentanone 587.57
    furfural 1040.87
    n-dodecane 12.97
    diethylene glycol 493.31
    diisopropyl ether 179.01
    tert-amyl alcohol 485.01
    acetylacetone 839.53
    n-hexadecane 15.1
    acetophenone 495.46
    methyl propionate 691.53
    isopentyl acetate 589.93
    trichloroethylene 3361.7
    n-nonanol 132.18
    cyclohexanol 545.0
    benzyl alcohol 425.11
    2-ethylhexanol 251.16
    isooctanol 127.92
    dipropyl ether 331.7
    1,2-dichlorobenzene 672.02
    ethyl lactate 224.51
    propylene carbonate 669.56
    n-methylformamide 747.91
    2-pentanol 375.13
    n-pentane 34.51
    1-propoxy-2-propanol 468.13
    1-methoxy-2-propyl acetate 532.04
    2-(2-methoxypropoxy) propanol 386.17
    mesitylene 140.05
    ε-caprolactone 960.22
    p-cymene 109.54
    epichlorohydrin 1707.54
    1,1,1-trichloroethane 1228.59
    2-aminoethanol 401.28
    morpholine-4-carbaldehyde 958.85
    sulfolane 1209.95
    2,2,4-trimethylpentane 24.25
    2-methyltetrahydrofuran 827.91
    n-hexyl acetate 415.32
    isooctane 19.29
    2-(2-butoxyethoxy)ethanol 567.33
    sec-butyl acetate 411.91
    tert-butyl acetate 504.82
    decalin 55.51
    glycerin 259.18
    diglyme 1151.88
    acrylic acid 503.88
    isopropyl myristate 153.31
    n-butyric acid 984.92
    acetyl acetate 639.32
    di(2-ethylhexyl) phthalate 151.46
    ethyl propionate 518.95
    nitromethane 1779.19
    1,2-diethoxyethane 893.55
    benzonitrile 598.19
    trioctyl phosphate 97.64
    1-bromopropane 1044.56
    gamma-valerolactone 1328.09
    n-decanol 97.88
    triethyl phosphate 183.79
    4-methyl-2-pentanol 188.03
    propionitrile 820.05
    vinylene carbonate 673.11
    1,1,2-trichlorotrifluoroethane 901.05
    DMS 410.49
    cumene 142.04
    2-octanol 100.66
    2-hexanone 645.01
    octyl acetate 191.51
    limonene 168.96
    1,2-dimethoxyethane 1278.51
    ethyl orthosilicate 173.08
    tributyl phosphate 149.91
    diacetone alcohol 457.52
    N,N-dimethylaniline 299.44
    acrylonitrile 1006.25
    aniline 541.95
    1,3-propanediol 560.87
    bromobenzene 856.6
    dibromomethane 2089.19
    1,1,2,2-tetrachloroethane 2702.73
    2-methyl-cyclohexyl acetate 307.25
    tetrabutyl urea 190.46
    diisobutyl methanol 129.21
    2-phenylethanol 364.75
    styrene 386.06
    dioctyl adipate 238.41
    dimethyl sulfate 393.25
    ethyl butyrate 474.82
    methyl lactate 253.78
    butyl lactate 252.51
    diethyl carbonate 325.24
    propanediol butyl ether 299.45
    triethyl orthoformate 283.9
    p-tert-butyltoluene 98.71
    methyl 4-tert-butylbenzoate 293.02
    morpholine 1862.45
    tert-butylamine 374.37
    n-dodecanol 74.08
    dimethoxymethane 856.14
    ethylene carbonate 597.77
    cyrene 293.22
    2-ethoxyethyl acetate 502.38
    2-ethylhexyl acetate 427.83
    1,2,4-trichlorobenzene 705.0
    4-methylpyridine 1187.64
    dibutyl ether 306.91
    2,6-dimethyl-4-heptanol 129.21
    DEF 923.7
    dimethyl isosorbide 562.14
    tetrachloroethylene 1526.18
    eugenol 323.05
    triacetin 418.62
    span 80 299.47
    1,4-butanediol 226.02
    1,1-dichloroethane 1696.29
    2-methyl-1-pentanol 438.3
    methyl formate 487.48
    2-methyl-1-butanol 511.54
    n-decane 20.18
    butyronitrile 848.66
    3,7-dimethyl-1-octanol 170.39
    1-chlorooctane 125.31
    1-chlorotetradecane 48.2
    n-nonane 18.35
    undecane 15.38
    tert-butylcyclohexane 45.99
    cyclooctane 23.24
    cyclopentanol 416.45
    tetrahydropyran 1455.75
    tert-amyl methyl ether 374.53
    2,5,8-trioxanonane 729.35
    1-hexene 369.93
    2-isopropoxyethanol 473.12
    2,2,2-trifluoroethanol 233.14
    methyl butyrate 795.42

    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