Isopropyl valerate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    18362-97-5

    Molecular formula
    C8H16O2

    SMILES
    CCCCC(=O)OC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 97.85%
    Apple 69.59%
    Pineapple 69.04%
    Sweet 56.17%
    Banana 54.41%
    Ethereal 51.8%
    Winey 42.39%
    Ripe 42.29%
    Cheesy 39.44%
    Tropical 39.24%

     

    Flavor
    Fruity 87.13%
    Pineapple 71.2%
    Sweet 60.1%
    Banana 49.47%
    Tropical 46.49%
    Apple 43.3%
    Fruit 43.0%
    Ripe 40.24%
    Green 36.68%
    Ethereal 34.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.62 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    154°C

    Flash point

    • 44.67 ˚C est.

  • Synonyms

    • Isopropyl valerate
    • 18362-97-5
    • propan-2-yl pentanoate
    • Pentanoic acid, 1-methylethyl ester
    • Valeric acid, isopropyl ester
    • Isopropyl pentanoate
    • ISO-PROPYL-VALERATE
    • EINECS 242-235-3
    • Pentanoic acid isopropyl ester
    • AI3-01974
    • n-C4H9C(O)OCH(CH3)2
    • DTXSID10171457
    • Isopropyl valeric acid
    • 2-n-propyl pentanoate
    • Propan-2-yl pentanoic acid
    • SCHEMBL127507
    • 7S68A8S3WM
    • DTXCID8093948
    • AKOS006242917
    • NS00021781
    • Q63398250
    • 242-235-3

  • Applications

    Isopropyl valerate (CAS 18362-97-5) is the ester of valeric acid and isopropanol, used primarily in fragrance and flavor applications as an aroma ingredient in perfumery and flavor industries; in cosmetics and personal care it often serves as a solvent/vehicle for fragrances and active ingredients; in industrial manufacturing it is used as a processing solvent for coatings, varnishes, and inks, and it also functions as an intermediate in the synthesis of related aroma compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3028.91
    methanol 4040.05
    isopropanol 3052.5
    water 8.03
    ethyl acetate 1065.36
    n-propanol 2473.78
    acetone 1954.09
    n-butanol 2267.45
    acetonitrile 1467.52
    DMF 2218.56
    toluene 681.39
    isobutanol 1989.47
    1,4-dioxane 2299.42
    methyl acetate 977.35
    THF 2905.16
    2-butanone 1281.44
    n-pentanol 1516.9
    sec-butanol 2491.74
    n-hexane 890.87
    ethylene glycol 629.45
    NMP 1960.03
    cyclohexane 1025.71
    DMSO 1642.41
    n-butyl acetate 1066.88
    n-octanol 898.13
    chloroform 4426.87
    n-propyl acetate 614.02
    acetic acid 2984.28
    dichloromethane 2742.39
    cyclohexanone 2261.26
    propylene glycol 1036.72
    isopropyl acetate 719.61
    DMAc 1708.15
    2-ethoxyethanol 1141.98
    isopentanol 1830.66
    n-heptane 335.95
    ethyl formate 821.78
    1,2-dichloroethane 1398.86
    n-hexanol 1979.32
    2-methoxyethanol 2093.19
    isobutyl acetate 478.49
    tetrachloromethane 758.03
    n-pentyl acetate 666.63
    transcutol 2256.44
    n-heptanol 704.97
    ethylbenzene 465.78
    MIBK 678.56
    2-propoxyethanol 1798.77
    tert-butanol 2923.06
    MTBE 1723.97
    2-butoxyethanol 835.94
    propionic acid 1682.74
    o-xylene 462.62
    formic acid 808.94
    diethyl ether 1429.84
    m-xylene 456.52
    p-xylene 666.47
    chlorobenzene 1008.17
    dimethyl carbonate 299.82
    n-octane 127.21
    formamide 642.3
    cyclopentanone 1908.37
    2-pentanone 1123.26
    anisole 660.89
    cyclopentyl methyl ether 1406.54
    gamma-butyrolactone 1973.62
    1-methoxy-2-propanol 1606.19
    pyridine 1687.86
    3-pentanone 787.92
    furfural 1537.53
    n-dodecane 102.03
    diethylene glycol 1095.4
    diisopropyl ether 453.06
    tert-amyl alcohol 2373.77
    acetylacetone 959.34
    n-hexadecane 113.18
    acetophenone 585.23
    methyl propionate 757.95
    isopentyl acetate 991.28
    trichloroethylene 2673.96
    n-nonanol 704.77
    cyclohexanol 2258.35
    benzyl alcohol 730.64
    2-ethylhexanol 939.76
    isooctanol 528.87
    dipropyl ether 766.06
    1,2-dichlorobenzene 814.46
    ethyl lactate 345.04
    propylene carbonate 1149.52
    n-methylformamide 1141.39
    2-pentanol 1622.14
    n-pentane 621.44
    1-propoxy-2-propanol 1243.09
    1-methoxy-2-propyl acetate 719.3
    2-(2-methoxypropoxy) propanol 715.46
    mesitylene 318.23
    ε-caprolactone 1801.63
    p-cymene 303.92
    epichlorohydrin 1703.42
    1,1,1-trichloroethane 1672.91
    2-aminoethanol 1225.42
    morpholine-4-carbaldehyde 1629.52
    sulfolane 2012.49
    2,2,4-trimethylpentane 229.68
    2-methyltetrahydrofuran 2261.51
    n-hexyl acetate 1167.08
    isooctane 155.63
    2-(2-butoxyethoxy)ethanol 942.58
    sec-butyl acetate 474.18
    tert-butyl acetate 756.57
    decalin 310.6
    glycerin 998.41
    diglyme 1404.91
    acrylic acid 1332.07
    isopropyl myristate 400.06
    n-butyric acid 2246.1
    acetyl acetate 675.03
    di(2-ethylhexyl) phthalate 398.33
    ethyl propionate 527.12
    nitromethane 2081.92
    1,2-diethoxyethane 876.67
    benzonitrile 985.76
    trioctyl phosphate 309.97
    1-bromopropane 1378.04
    gamma-valerolactone 2134.61
    n-decanol 479.63
    triethyl phosphate 294.84
    4-methyl-2-pentanol 752.22
    propionitrile 1286.47
    vinylene carbonate 1063.14
    1,1,2-trichlorotrifluoroethane 1558.78
    DMS 538.41
    cumene 331.93
    2-octanol 582.88
    2-hexanone 872.94
    octyl acetate 516.95
    limonene 535.74
    1,2-dimethoxyethane 1890.51
    ethyl orthosilicate 307.09
    tributyl phosphate 372.95
    diacetone alcohol 882.01
    N,N-dimethylaniline 511.72
    acrylonitrile 1237.49
    aniline 898.56
    1,3-propanediol 1583.26
    bromobenzene 1040.53
    dibromomethane 2172.15
    1,1,2,2-tetrachloroethane 2530.17
    2-methyl-cyclohexyl acetate 550.07
    tetrabutyl urea 461.6
    diisobutyl methanol 453.88
    2-phenylethanol 745.44
    styrene 563.43
    dioctyl adipate 523.96
    dimethyl sulfate 471.55
    ethyl butyrate 554.41
    methyl lactate 491.64
    butyl lactate 547.74
    diethyl carbonate 381.08
    propanediol butyl ether 930.15
    triethyl orthoformate 436.85
    p-tert-butyltoluene 301.39
    methyl 4-tert-butylbenzoate 594.55
    morpholine 2743.79
    tert-butylamine 1986.7
    n-dodecanol 356.92
    dimethoxymethane 1004.64
    ethylene carbonate 922.54
    cyrene 568.27
    2-ethoxyethyl acetate 634.68
    2-ethylhexyl acetate 733.65
    1,2,4-trichlorobenzene 909.38
    4-methylpyridine 1704.23
    dibutyl ether 843.63
    2,6-dimethyl-4-heptanol 453.88
    DEF 1254.36
    dimethyl isosorbide 947.32
    tetrachloroethylene 1746.97
    eugenol 576.42
    triacetin 735.31
    span 80 836.89
    1,4-butanediol 688.4
    1,1-dichloroethane 2011.59
    2-methyl-1-pentanol 1289.56
    methyl formate 794.78
    2-methyl-1-butanol 1783.6
    n-decane 181.32
    butyronitrile 1598.56
    3,7-dimethyl-1-octanol 779.3
    1-chlorooctane 549.24
    1-chlorotetradecane 210.31
    n-nonane 195.71
    undecane 128.62
    tert-butylcyclohexane 290.61
    cyclooctane 245.25
    cyclopentanol 2163.31
    tetrahydropyran 2821.29
    tert-amyl methyl ether 1169.35
    2,5,8-trioxanonane 975.82
    1-hexene 1564.73
    2-isopropoxyethanol 824.69
    2,2,2-trifluoroethanol 648.29
    methyl butyrate 800.99

    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