Ethyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    539-82-2

    Molecular formula
    C7H14O2

    SMILES
    CCCCC(=O)OCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 903.0
    • Carbowax: 1130.6

  • Odor profile

    Fruity 97.81%
    Pineapple 77.51%
    Apple 71.82%
    Sweet 71.68%
    Banana 60.72%
    Ethereal 60.02%
    Green 57.8%
    Tropical 54.36%
    Ripe 48.46%
    Winey 46.76%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.56 (weak base)

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -91.2 °C

    Boiling point

    • 144.00 to 145.00 °C. @ 760.00 mm Hg

    Flash point est.
    37.12 ˚C

    Solubility expt.

    • 2.21 mg/mL at 25 °C
    • Slightly soluble in ethanol, insoluble in water

  • Synonyms

    • ETHYL VALERATE
    • Ethyl pentanoate
    • 539-82-2
    • Pentanoic acid, ethyl ester
    • Ethyl n-valerate
    • Valeric acid, ethyl ester
    • Ethylvalerate
    • Ethyl valerianate
    • Pentanoic acid ethyl ester
    • FEMA No. 2462
    • Valeric Acid Ethyl Ester
    • n-Valeric acid ethyl ester
    • MFCD00009479
    • UNII-95R258T4P6
    • NSC 8868
    • NSC-8868
    • EINECS 208-726-1
    • ETHYL N-PENTANOATE
    • 95R258T4P6
    • ETHYL VALERATE [FCC]
    • ETHYL VALERATE [FHFI]
    • AI3-01270
    • DTXSID6040161
    • CHEBI:89771
    • ICMAFTSLXCXHRK-UHFFFAOYSA-
    • Valeric acid, ethyl ester (8CI)
    • AMYLMETACRESOL IMPURITY H [EP IMPURITY]
    • AMYLMETACRESOL IMPURITY H (EP IMPURITY)
    • Ethyln valerate
    • Ethyl valerate, 99%
    • Valeric acid-ethyl ester
    • CHEMBL47483
    • SCHEMBL127083
    • Ethyl valerate, >=98%, FG
    • DTXCID4020161
    • FEMA 2462
    • NSC8868
    • Ethyl valerate, analytical standard
    • HY-B2003
    • LMFA07010881
    • AKOS008948340
    • N-VALERIC ACID ETHYL ESTER [MI]
    • LS-13334
    • DB-003655
    • NS00012474
    • V0004
    • Ethyl valerate, natural (US), >=98%, FG
    • A829879
    • Q1193173
    • F0001-1400
    • 208-726-1

  • Applications

    Ethyl valerate (CAS 539-82-2), also known as ethyl pentanoate, is a fruity, sweet-smelling ester that serves as a versatile flavoring ingredient in soft drinks, wines, low-alcohol beers, candies, baked goods, yogurts, ice creams and e-liquids; in perfumery and cosmetics it delivers fresh apple-berry top notes to body mists, shampoos and soaps; in pharmaceuticals and nutraceuticals it masks bitter actives and improves palatability of syrups and functional foods; in agriculture and veterinary fields it is investigated as an insect attractant and a feed palatability enhancer; additionally, ethyl valerate is employed as a medium-boiling solvent for inks, coatings and specialty cleaners and as a synthetic intermediate for higher valerate esters used as plasticizers or rubber softening oils.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4128.31
    methanol 5902.31
    isopropanol 3383.76
    water 5.35
    ethyl acetate 1201.51
    n-propanol 3012.14
    acetone 2175.73
    n-butanol 2421.47
    acetonitrile 2340.27
    DMF 2959.96
    toluene 722.99
    isobutanol 2055.43
    1,4-dioxane 2708.69
    methyl acetate 1165.93
    THF 2700.03
    2-butanone 1464.42
    n-pentanol 1776.41
    sec-butanol 2622.16
    n-hexane 592.12
    ethylene glycol 764.87
    NMP 2028.04
    cyclohexane 760.6
    DMSO 2412.38
    n-butyl acetate 1166.56
    n-octanol 847.45
    chloroform 5030.22
    n-propyl acetate 788.87
    acetic acid 3645.47
    dichloromethane 3956.61
    cyclohexanone 2276.4
    propylene glycol 1024.83
    isopropyl acetate 687.13
    DMAc 1750.07
    2-ethoxyethanol 1530.44
    isopentanol 1775.61
    n-heptane 258.46
    ethyl formate 1141.67
    1,2-dichloroethane 1993.1
    n-hexanol 1742.1
    2-methoxyethanol 2641.81
    isobutyl acetate 508.62
    tetrachloromethane 827.03
    n-pentyl acetate 728.2
    transcutol 2827.53
    n-heptanol 663.56
    ethylbenzene 495.47
    MIBK 628.11
    2-propoxyethanol 1791.68
    tert-butanol 3009.19
    MTBE 1586.86
    2-butoxyethanol 937.95
    propionic acid 1923.78
    o-xylene 445.18
    formic acid 1074.23
    diethyl ether 1545.24
    m-xylene 422.62
    p-xylene 689.64
    chlorobenzene 1284.17
    dimethyl carbonate 302.94
    n-octane 105.93
    formamide 1032.58
    cyclopentanone 2037.81
    2-pentanone 1131.96
    anisole 815.23
    cyclopentyl methyl ether 1227.11
    gamma-butyrolactone 2142.69
    1-methoxy-2-propanol 1749.15
    pyridine 2668.76
    3-pentanone 760.74
    furfural 2048.82
    n-dodecane 85.47
    diethylene glycol 1216.75
    diisopropyl ether 353.55
    tert-amyl alcohol 2339.1
    acetylacetone 918.37
    n-hexadecane 96.4
    acetophenone 722.52
    methyl propionate 824.83
    isopentyl acetate 964.86
    trichloroethylene 3663.78
    n-nonanol 667.9
    cyclohexanol 2115.39
    benzyl alcohol 895.27
    2-ethylhexanol 889.82
    isooctanol 514.2
    dipropyl ether 754.84
    1,2-dichlorobenzene 956.65
    ethyl lactate 396.75
    propylene carbonate 1172.24
    n-methylformamide 1755.24
    2-pentanol 1524.58
    n-pentane 444.28
    1-propoxy-2-propanol 1208.36
    1-methoxy-2-propyl acetate 683.22
    2-(2-methoxypropoxy) propanol 737.91
    mesitylene 287.01
    ε-caprolactone 1793.69
    p-cymene 292.9
    epichlorohydrin 2167.21
    1,1,1-trichloroethane 1975.07
    2-aminoethanol 1574.76
    morpholine-4-carbaldehyde 1859.96
    sulfolane 2250.3
    2,2,4-trimethylpentane 170.69
    2-methyltetrahydrofuran 2250.34
    n-hexyl acetate 1117.16
    isooctane 115.29
    2-(2-butoxyethoxy)ethanol 1011.27
    sec-butyl acetate 507.12
    tert-butyl acetate 678.19
    decalin 243.41
    glycerin 1061.41
    diglyme 1730.55
    acrylic acid 1678.31
    isopropyl myristate 369.93
    n-butyric acid 2528.86
    acetyl acetate 687.21
    di(2-ethylhexyl) phthalate 385.13
    ethyl propionate 608.68
    nitromethane 2874.71
    1,2-diethoxyethane 1058.84
    benzonitrile 1442.16
    trioctyl phosphate 293.66
    1-bromopropane 1613.76
    gamma-valerolactone 2457.16
    n-decanol 450.71
    triethyl phosphate 301.63
    4-methyl-2-pentanol 674.89
    propionitrile 1825.14
    vinylene carbonate 1205.18
    1,1,2-trichlorotrifluoroethane 1750.68
    DMS 529.39
    cumene 328.83
    2-octanol 533.06
    2-hexanone 991.37
    octyl acetate 489.47
    limonene 497.69
    1,2-dimethoxyethane 2326.72
    ethyl orthosilicate 296.57
    tributyl phosphate 362.39
    diacetone alcohol 842.12
    N,N-dimethylaniline 572.89
    acrylonitrile 2016.33
    aniline 1144.77
    1,3-propanediol 1889.22
    bromobenzene 1335.8
    dibromomethane 2798.44
    1,1,2,2-tetrachloroethane 2996.06
    2-methyl-cyclohexyl acetate 529.84
    tetrabutyl urea 457.61
    diisobutyl methanol 415.73
    2-phenylethanol 777.76
    styrene 719.15
    dioctyl adipate 539.66
    dimethyl sulfate 470.41
    ethyl butyrate 653.91
    methyl lactate 507.02
    butyl lactate 579.69
    diethyl carbonate 448.17
    propanediol butyl ether 963.52
    triethyl orthoformate 447.37
    p-tert-butyltoluene 281.06
    methyl 4-tert-butylbenzoate 591.6
    morpholine 3374.91
    tert-butylamine 2062.99
    n-dodecanol 333.62
    dimethoxymethane 1093.43
    ethylene carbonate 974.66
    cyrene 568.47
    2-ethoxyethyl acetate 715.17
    2-ethylhexyl acetate 707.91
    1,2,4-trichlorobenzene 1027.06
    4-methylpyridine 2400.71
    dibutyl ether 817.27
    2,6-dimethyl-4-heptanol 415.73
    DEF 1417.74
    dimethyl isosorbide 925.33
    tetrachloroethylene 2131.01
    eugenol 650.65
    triacetin 714.91
    span 80 823.15
    1,4-butanediol 864.78
    1,1-dichloroethane 2521.29
    2-methyl-1-pentanol 1330.77
    methyl formate 1129.66
    2-methyl-1-butanol 1703.64
    n-decane 152.02
    butyronitrile 2213.5
    3,7-dimethyl-1-octanol 711.98
    1-chlorooctane 499.92
    1-chlorotetradecane 187.6
    n-nonane 161.64
    undecane 108.12
    tert-butylcyclohexane 221.98
    cyclooctane 166.18
    cyclopentanol 2188.89
    tetrahydropyran 2964.89
    tert-amyl methyl ether 1034.65
    2,5,8-trioxanonane 1156.05
    1-hexene 1463.43
    2-isopropoxyethanol 955.79
    2,2,2-trifluoroethanol 671.06
    methyl butyrate 1040.37

    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

Botanical

Name CAS Botanical Proportion
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 1.38%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Tagetes (Rwanda) 1 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.1%
Tagetes (France) 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.1%
Tagetes (Cameroon) 1a leaf 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Tagetes (Cameroon) 1b flower 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%