Isopropyl isovalerate

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  • Identifiers

    CAS number
    32665-23-9

    Molecular formula
    C8H16O2

    SMILES
    CC(C)CC(=O)OC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 96.71%
    Apple 68.01%
    Sweet 63.05%
    Pineapple 62.33%
    Banana 59.25%
    Ethereal 59.24%
    Green 45.13%
    Ripe 43.27%
    Winey 42.67%
    Cheesy 38.8%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 142.00 °C. @ 760.00 mm Hg

    Flash point est.
    45.69 ˚C

    Solubility expt.

    • insoluble in water; soluble in most organic solvents

  • Synonyms

    • Isopropyl isovalerate
    • 32665-23-9
    • propan-2-yl 3-methylbutanoate
    • Isopropyl 3-methylbutanoate
    • Isopropyl isopentanoate
    • Isopropyl isovalianate
    • iso-Propyl iso-valerate
    • 1-Methylethyl 3-methylbutanoate
    • Isopropyl 3-methylbutyrate
    • Butanoic acid, 3-methyl-, 1-methylethyl ester
    • FEMA No. 2961
    • Isovaleric acid, isopropyl ester
    • UNII-7EVG31L4J8
    • 7EVG31L4J8
    • EINECS 251-145-3
    • AI3-33617
    • DTXSID6067707
    • FEMA 2961
    • ISOPROPYL ISOVALERATE [FHFI]
    • isopropylisovalerat
    • Isopropyl 3-methylbutanoate #
    • SCHEMBL127431
    • Isopropyl 3-methylbutanoic acid
    • DTXCID9038553
    • CHEBI:179939
    • LMFA07010922
    • 3-methyl-butyric acid isopropyl ester
    • AKOS006243396
    • DA-33481
    • Butanoic acid,3-methyl-,1-methylethyl ester
    • NS00012737
    • Q27268172
    • 251-145-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 900.29
    methanol 1315.22
    isopropanol 864.04
    water 13.18
    ethyl acetate 364.16
    n-propanol 749.84
    acetone 660.37
    n-butanol 675.73
    acetonitrile 518.68
    DMF 688.06
    toluene 255.49
    isobutanol 567.37
    1,4-dioxane 967.64
    methyl acetate 364.21
    THF 1403.92
    2-butanone 397.9
    n-pentanol 446.21
    sec-butanol 700.91
    n-hexane 335.92
    ethylene glycol 238.76
    NMP 935.81
    cyclohexane 523.79
    DMSO 521.64
    n-butyl acetate 400.59
    n-octanol 479.89
    chloroform 2068.19
    n-propyl acetate 261.15
    acetic acid 1402.01
    dichloromethane 1194.09
    cyclohexanone 954.59
    propylene glycol 443.68
    isopropyl acetate 244.69
    DMAc 583.5
    2-ethoxyethanol 328.98
    isopentanol 488.31
    n-heptane 228.82
    ethyl formate 357.92
    1,2-dichloroethane 499.2
    n-hexanol 757.18
    2-methoxyethanol 728.4
    isobutyl acetate 203.18
    tetrachloromethane 313.27
    n-pentyl acetate 274.99
    transcutol 879.97
    n-heptanol 311.58
    ethylbenzene 203.41
    MIBK 235.09
    2-propoxyethanol 641.05
    tert-butanol 886.96
    MTBE 431.34
    2-butoxyethanol 322.94
    propionic acid 659.45
    o-xylene 203.62
    formic acid 374.17
    diethyl ether 406.68
    m-xylene 196.36
    p-xylene 285.85
    chlorobenzene 427.33
    dimethyl carbonate 155.89
    n-octane 84.3
    formamide 258.6
    cyclopentanone 884.15
    2-pentanone 354.11
    anisole 293.85
    cyclopentyl methyl ether 576.48
    gamma-butyrolactone 991.78
    1-methoxy-2-propanol 532.8
    pyridine 649.56
    3-pentanone 261.84
    furfural 801.05
    n-dodecane 75.2
    diethylene glycol 428.12
    diisopropyl ether 148.54
    tert-amyl alcohol 698.26
    acetylacetone 402.85
    n-hexadecane 80.19
    acetophenone 288.71
    methyl propionate 293.59
    isopentyl acetate 370.32
    trichloroethylene 1138.32
    n-nonanol 378.66
    cyclohexanol 838.54
    benzyl alcohol 312.14
    2-ethylhexanol 421.95
    isooctanol 235.47
    dipropyl ether 337.17
    1,2-dichlorobenzene 401.25
    ethyl lactate 191.54
    propylene carbonate 672.74
    n-methylformamide 404.85
    2-pentanol 471.9
    n-pentane 251.02
    1-propoxy-2-propanol 497.95
    1-methoxy-2-propyl acetate 319.35
    2-(2-methoxypropoxy) propanol 380.09
    mesitylene 143.97
    ε-caprolactone 748.21
    p-cymene 171.7
    epichlorohydrin 727.64
    1,1,1-trichloroethane 679.13
    2-aminoethanol 456.18
    morpholine-4-carbaldehyde 709.96
    sulfolane 988.35
    2,2,4-trimethylpentane 109.44
    2-methyltetrahydrofuran 895.46
    n-hexyl acetate 562.43
    isooctane 71.53
    2-(2-butoxyethoxy)ethanol 493.38
    sec-butyl acetate 176.2
    tert-butyl acetate 277.16
    decalin 164.75
    glycerin 454.43
    diglyme 583.4
    acrylic acid 560.1
    isopropyl myristate 244.08
    n-butyric acid 849.94
    acetyl acetate 319.39
    di(2-ethylhexyl) phthalate 242.38
    ethyl propionate 236.13
    nitromethane 915.62
    1,2-diethoxyethane 287.23
    benzonitrile 446.01
    trioctyl phosphate 190.43
    1-bromopropane 459.28
    gamma-valerolactone 954.04
    n-decanol 282.47
    triethyl phosphate 178.05
    4-methyl-2-pentanol 241.68
    propionitrile 428.36
    vinylene carbonate 636.71
    1,1,2-trichlorotrifluoroethane 711.41
    DMS 314.23
    cumene 159.01
    2-octanol 279.54
    2-hexanone 304.13
    octyl acetate 326.9
    limonene 279.96
    1,2-dimethoxyethane 569.44
    ethyl orthosilicate 170.18
    tributyl phosphate 229.97
    diacetone alcohol 360.95
    N,N-dimethylaniline 230.86
    acrylonitrile 463.66
    aniline 356.17
    1,3-propanediol 534.7
    bromobenzene 421.76
    dibromomethane 928.18
    1,1,2,2-tetrachloroethane 1019.33
    2-methyl-cyclohexyl acetate 322.69
    tetrabutyl urea 284.33
    diisobutyl methanol 217.83
    2-phenylethanol 376.35
    styrene 229.0
    dioctyl adipate 352.71
    dimethyl sulfate 245.07
    ethyl butyrate 289.99
    methyl lactate 243.14
    butyl lactate 286.7
    diethyl carbonate 228.57
    propanediol butyl ether 465.88
    triethyl orthoformate 229.49
    p-tert-butyltoluene 178.81
    methyl 4-tert-butylbenzoate 353.95
    morpholine 979.72
    tert-butylamine 623.67
    n-dodecanol 222.65
    dimethoxymethane 399.28
    ethylene carbonate 505.63
    cyrene 343.4
    2-ethoxyethyl acetate 272.63
    2-ethylhexyl acetate 293.86
    1,2,4-trichlorobenzene 456.97
    4-methylpyridine 601.35
    dibutyl ether 359.17
    2,6-dimethyl-4-heptanol 217.83
    DEF 369.85
    dimethyl isosorbide 576.03
    tetrachloroethylene 652.76
    eugenol 319.67
    triacetin 448.01
    span 80 519.59
    1,4-butanediol 231.92
    1,1-dichloroethane 690.7
    2-methyl-1-pentanol 382.83
    methyl formate 352.14
    2-methyl-1-butanol 493.22
    n-decane 119.09
    butyronitrile 530.96
    3,7-dimethyl-1-octanol 363.26
    1-chlorooctane 290.72
    1-chlorotetradecane 133.78
    n-nonane 129.59
    undecane 89.69
    tert-butylcyclohexane 145.39
    cyclooctane 149.25
    cyclopentanol 863.76
    tetrahydropyran 1055.31
    tert-amyl methyl ether 329.66
    2,5,8-trioxanonane 505.11
    1-hexene 471.33
    2-isopropoxyethanol 236.4
    2,2,2-trifluoroethanol 349.12
    methyl butyrate 333.15

    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