Isobutyl valerate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    10588-10-0

    Molecular formula
    C9H18O2

    SMILES
    CCCCC(=O)OCC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 97.0%
    Apple 73.94%
    Pineapple 63.39%
    Sweet 49.73%
    Banana 48.43%
    Winey 48.38%
    Ethereal 47.55%
    Tropical 40.66%
    Ripe 39.58%
    Green 38.76%

    Scent© AI

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.48 (weak base)

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point est.
    58.46 ˚C

  • Synonyms

    • Isobutyl valerate
    • 10588-10-0
    • Isobutyl pentanoate
    • 2-methylpropyl pentanoate
    • Pentanoic acid, 2-methylpropyl ester
    • Valeric acid, isobutyl ester
    • Isobutyl valerinate
    • Isobutyl n-valerate
    • 2-Methylpropyl valerate
    • UNII-9N1Y3169HV
    • 2-Methyl-1-propyl n-valerate
    • 9N1Y3169HV
    • EINECS 234-191-9
    • AI3-24390
    • DTXSID1065134
    • 2-METHYL-1-PROPYL PENTANOATE
    • iso-Butyl Valerate
    • Isobutylvalerat
    • Iso-butyl-valerate
    • Isobutyl valeric acid
    • pentanoic acid isobutyl ester
    • 2-Methylpropyl pentanoic acid
    • SCHEMBL127789
    • DTXCID2032978
    • CHEBI:217190
    • AKOS006242918
    • AS-56920
    • DB-319673
    • NS00021477
    • D95777
    • Q27272766
    • 234-191-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2161.35
    methanol 2332.79
    isopropanol 2098.09
    water 1.77
    ethyl acetate 846.85
    n-propanol 1559.7
    acetone 1420.63
    n-butanol 1629.65
    acetonitrile 967.86
    DMF 1675.12
    toluene 547.08
    isobutanol 1431.84
    1,4-dioxane 1504.51
    methyl acetate 780.81
    THF 1959.57
    2-butanone 1109.97
    n-pentanol 1291.88
    sec-butanol 1736.35
    n-hexane 439.87
    ethylene glycol 339.19
    NMP 1096.25
    cyclohexane 479.83
    DMSO 1138.63
    n-butyl acetate 1512.32
    n-octanol 883.4
    chloroform 3493.43
    n-propyl acetate 718.29
    acetic acid 1558.02
    dichloromethane 2173.96
    cyclohexanone 1685.38
    propylene glycol 633.91
    isopropyl acetate 676.21
    DMAc 1219.56
    2-ethoxyethanol 999.57
    isopentanol 1597.41
    n-heptane 254.17
    ethyl formate 792.08
    1,2-dichloroethane 1310.32
    n-hexanol 1794.0
    2-methoxyethanol 1514.78
    isobutyl acetate 576.65
    tetrachloromethane 512.09
    n-pentyl acetate 774.7
    transcutol 2322.06
    n-heptanol 785.36
    ethylbenzene 455.14
    MIBK 719.64
    2-propoxyethanol 1549.94
    tert-butanol 2284.85
    MTBE 1488.47
    2-butoxyethanol 1035.37
    propionic acid 1000.82
    o-xylene 405.89
    formic acid 425.26
    diethyl ether 928.58
    m-xylene 428.86
    p-xylene 635.53
    chlorobenzene 885.48
    dimethyl carbonate 217.72
    n-octane 125.74
    formamide 387.13
    cyclopentanone 1516.97
    2-pentanone 984.86
    anisole 710.17
    cyclopentyl methyl ether 881.75
    gamma-butyrolactone 1339.27
    1-methoxy-2-propanol 1223.51
    pyridine 1431.36
    3-pentanone 546.06
    furfural 1473.93
    n-dodecane 104.11
    diethylene glycol 935.72
    diisopropyl ether 371.52
    tert-amyl alcohol 1917.33
    acetylacetone 821.24
    n-hexadecane 114.62
    acetophenone 691.72
    methyl propionate 541.86
    isopentyl acetate 1443.06
    trichloroethylene 2529.35
    n-nonanol 711.68
    cyclohexanol 1396.68
    benzyl alcohol 726.33
    2-ethylhexanol 1084.48
    isooctanol 659.63
    dipropyl ether 721.4
    1,2-dichlorobenzene 789.6
    ethyl lactate 386.7
    propylene carbonate 1012.68
    n-methylformamide 798.73
    2-pentanol 1262.5
    n-pentane 304.52
    1-propoxy-2-propanol 1333.37
    1-methoxy-2-propyl acetate 846.11
    2-(2-methoxypropoxy) propanol 819.1
    mesitylene 312.7
    ε-caprolactone 1414.41
    p-cymene 367.9
    epichlorohydrin 1576.71
    1,1,1-trichloroethane 1527.6
    2-aminoethanol 747.84
    morpholine-4-carbaldehyde 1216.29
    sulfolane 1361.38
    2,2,4-trimethylpentane 170.31
    2-methyltetrahydrofuran 1607.17
    n-hexyl acetate 1128.4
    isooctane 146.09
    2-(2-butoxyethoxy)ethanol 1066.81
    sec-butyl acetate 550.75
    tert-butyl acetate 741.1
    decalin 234.85
    glycerin 610.78
    diglyme 1630.95
    acrylic acid 798.27
    isopropyl myristate 443.61
    n-butyric acid 1734.06
    acetyl acetate 534.28
    di(2-ethylhexyl) phthalate 413.47
    ethyl propionate 516.07
    nitromethane 1241.57
    1,2-diethoxyethane 996.82
    benzonitrile 1129.17
    trioctyl phosphate 322.69
    1-bromopropane 1110.55
    gamma-valerolactone 1843.88
    n-decanol 507.62
    triethyl phosphate 330.86
    4-methyl-2-pentanol 768.07
    propionitrile 1006.48
    vinylene carbonate 958.33
    1,1,2-trichlorotrifluoroethane 1282.14
    DMS 523.57
    cumene 357.29
    2-octanol 623.26
    2-hexanone 942.49
    octyl acetate 568.49
    limonene 585.93
    1,2-dimethoxyethane 1674.07
    ethyl orthosilicate 346.95
    tributyl phosphate 401.18
    diacetone alcohol 890.25
    N,N-dimethylaniline 550.51
    acrylonitrile 1041.69
    aniline 689.72
    1,3-propanediol 1144.02
    bromobenzene 925.9
    dibromomethane 1732.83
    1,1,2,2-tetrachloroethane 2333.86
    2-methyl-cyclohexyl acetate 665.13
    tetrabutyl urea 479.98
    diisobutyl methanol 589.07
    2-phenylethanol 859.32
    styrene 567.23
    dioctyl adipate 584.9
    dimethyl sulfate 308.59
    ethyl butyrate 744.68
    methyl lactate 390.39
    butyl lactate 675.4
    diethyl carbonate 507.24
    propanediol butyl ether 1057.12
    triethyl orthoformate 535.71
    p-tert-butyltoluene 358.55
    methyl 4-tert-butylbenzoate 653.51
    morpholine 1840.32
    tert-butylamine 1577.63
    n-dodecanol 381.29
    dimethoxymethane 705.79
    ethylene carbonate 805.56
    cyrene 550.09
    2-ethoxyethyl acetate 744.62
    2-ethylhexyl acetate 1064.21
    1,2,4-trichlorobenzene 857.72
    4-methylpyridine 1561.61
    dibutyl ether 817.67
    2,6-dimethyl-4-heptanol 589.07
    DEF 999.68
    dimethyl isosorbide 969.21
    tetrachloroethylene 1478.86
    eugenol 721.25
    triacetin 715.36
    span 80 881.98
    1,4-butanediol 600.26
    1,1-dichloroethane 1752.27
    2-methyl-1-pentanol 1267.87
    methyl formate 558.14
    2-methyl-1-butanol 1382.51
    n-decane 171.51
    butyronitrile 1494.68
    3,7-dimethyl-1-octanol 896.21
    1-chlorooctane 544.42
    1-chlorotetradecane 225.85
    n-nonane 178.21
    undecane 127.72
    tert-butylcyclohexane 248.68
    cyclooctane 141.74
    cyclopentanol 1327.07
    tetrahydropyran 1771.48
    tert-amyl methyl ether 976.32
    2,5,8-trioxanonane 1086.02
    1-hexene 1066.67
    2-isopropoxyethanol 825.64
    2,2,2-trifluoroethanol 356.81
    methyl butyrate 901.16

    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
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%