Isopropyl isobutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    617-50-5

    Molecular formula
    C7H14O2

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 98.39%
    Sweet 79.67%
    Pineapple 69.09%
    Apple 67.33%
    Ethereal 65.73%
    Banana 63.61%
    Tropical 57.82%
    Rummy 46.94%
    Ripe 44.55%
    Green 43.99%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 120.00 to 121.00 °C. @ 760.00 mm Hg

    Flash point est.
    26.09 ˚C

    Solubility expt.

    • insoluble in water; soluble in most organic solvents

  • Synonyms

    • ISOPROPYL ISOBUTYRATE
    • 617-50-5
    • Isobutyric Acid Isopropyl Ester
    • Isopropyl 2-methylpropanoate
    • propan-2-yl 2-methylpropanoate
    • Isobutyric acid, isopropyl ester
    • Propanoic acid, 2-methyl-, 1-methylethyl ester
    • FEMA No. 2937
    • 1-Methylethyl 2-methylpropanoate
    • UNII-IB2671N3UT
    • IB2671N3UT
    • Isopropyl isobutanoate
    • EINECS 210-517-5
    • FEMA 2937
    • iso-C3H7C(O)OCH(CH3)2
    • DTXSID10862297
    • ISOPROPYL ISOBUTYRATE [FHFI]
    • UN 2406
    • isopropylisobutyrat
    • MFCD00059365
    • UN2406
    • SCHEMBL295903
    • Isopropyl isobutyrate, >=99%
    • Isopropyl 2-methylpropanoic acid
    • DTXCID70811084
    • CHEBI:179991
    • Propan-2-yl 2-methylpropanoic acid
    • AKOS008948133
    • LS-13336
    • DB-319679
    • I0109
    • NS00042647
    • D91082
    • Isopropyl isobutyrate [UN2406] [Flammable liquid]
    • Isopropyl isobutyrate [UN2406] [Flammable liquid]
    • Q27280641
    • 210-517-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1077.1
    methanol 1471.31
    isopropanol 1328.93
    water 17.8
    ethyl acetate 1470.16
    n-propanol 1212.08
    acetone 2226.42
    n-butanol 1245.81
    acetonitrile 1685.44
    DMF 2492.26
    toluene 883.44
    isobutanol 1244.99
    1,4-dioxane 1838.92
    methyl acetate 1557.64
    THF 2201.06
    2-butanone 1839.78
    n-pentanol 976.04
    sec-butanol 1530.76
    n-hexane 797.07
    ethylene glycol 346.57
    NMP 2793.33
    cyclohexane 714.28
    DMSO 1520.02
    n-butyl acetate 1366.07
    n-octanol 1081.2
    chloroform 5038.57
    n-propyl acetate 1058.63
    acetic acid 1550.5
    dichloromethane 3623.01
    cyclohexanone 2732.07
    propylene glycol 594.04
    isopropyl acetate 1088.8
    DMAc 2545.55
    2-ethoxyethanol 915.5
    isopentanol 1240.93
    n-heptane 365.65
    ethyl formate 1083.0
    1,2-dichloroethane 1976.77
    n-hexanol 1239.2
    2-methoxyethanol 1425.39
    isobutyl acetate 774.97
    tetrachloromethane 1123.42
    n-pentyl acetate 1081.52
    transcutol 1911.86
    n-heptanol 737.01
    ethylbenzene 745.48
    MIBK 1032.09
    2-propoxyethanol 1299.71
    tert-butanol 1852.78
    MTBE 1809.2
    2-butoxyethanol 871.16
    propionic acid 1372.78
    o-xylene 847.15
    formic acid 440.67
    diethyl ether 1278.87
    m-xylene 755.83
    p-xylene 1174.59
    chlorobenzene 1332.72
    dimethyl carbonate 612.48
    n-octane 228.46
    formamide 461.78
    cyclopentanone 2674.45
    2-pentanone 1510.44
    anisole 1028.26
    cyclopentyl methyl ether 1465.63
    gamma-butyrolactone 2666.83
    1-methoxy-2-propanol 1289.2
    pyridine 1547.22
    3-pentanone 1304.06
    furfural 2187.03
    n-dodecane 191.51
    diethylene glycol 790.62
    diisopropyl ether 671.82
    tert-amyl alcohol 1834.4
    acetylacetone 1692.81
    n-hexadecane 214.43
    acetophenone 1161.91
    methyl propionate 1196.58
    isopentyl acetate 1290.81
    trichloroethylene 4087.54
    n-nonanol 856.49
    cyclohexanol 1585.49
    benzyl alcohol 857.26
    2-ethylhexanol 953.66
    isooctanol 650.44
    dipropyl ether 899.41
    1,2-dichlorobenzene 1458.37
    ethyl lactate 582.0
    propylene carbonate 1792.98
    n-methylformamide 1069.36
    2-pentanol 1154.29
    n-pentane 495.67
    1-propoxy-2-propanol 1136.88
    1-methoxy-2-propyl acetate 1000.51
    2-(2-methoxypropoxy) propanol 846.86
    mesitylene 615.91
    ε-caprolactone 2262.82
    p-cymene 576.95
    epichlorohydrin 2183.19
    1,1,1-trichloroethane 2877.61
    2-aminoethanol 592.12
    morpholine-4-carbaldehyde 2086.0
    sulfolane 3233.43
    2,2,4-trimethylpentane 343.87
    2-methyltetrahydrofuran 2221.04
    n-hexyl acetate 1780.44
    isooctane 236.16
    2-(2-butoxyethoxy)ethanol 987.57
    sec-butyl acetate 822.87
    tert-butyl acetate 1229.09
    decalin 434.85
    glycerin 677.0
    diglyme 1798.82
    acrylic acid 1224.32
    isopropyl myristate 671.55
    n-butyric acid 1664.6
    acetyl acetate 1159.79
    di(2-ethylhexyl) phthalate 557.56
    ethyl propionate 998.15
    nitromethane 2331.94
    1,2-diethoxyethane 1051.39
    benzonitrile 1379.38
    trioctyl phosphate 481.3
    1-bromopropane 1641.43
    gamma-valerolactone 2641.56
    n-decanol 619.87
    triethyl phosphate 557.62
    4-methyl-2-pentanol 734.18
    propionitrile 1311.77
    vinylene carbonate 1685.39
    1,1,2-trichlorotrifluoroethane 1932.89
    DMS 1129.11
    cumene 609.53
    2-octanol 779.43
    2-hexanone 1218.54
    octyl acetate 847.81
    limonene 838.89
    1,2-dimethoxyethane 1803.88
    ethyl orthosilicate 548.12
    tributyl phosphate 613.58
    diacetone alcohol 1212.52
    N,N-dimethylaniline 906.79
    acrylonitrile 1550.83
    aniline 935.47
    1,3-propanediol 827.68
    bromobenzene 1537.1
    dibromomethane 2659.81
    1,1,2,2-tetrachloroethane 3883.32
    2-methyl-cyclohexyl acetate 893.95
    tetrabutyl urea 717.59
    diisobutyl methanol 587.66
    2-phenylethanol 816.13
    styrene 829.33
    dioctyl adipate 843.36
    dimethyl sulfate 1118.35
    ethyl butyrate 1002.54
    methyl lactate 746.95
    butyl lactate 815.55
    diethyl carbonate 725.54
    propanediol butyl ether 1000.19
    triethyl orthoformate 695.57
    p-tert-butyltoluene 573.91
    methyl 4-tert-butylbenzoate 1047.16
    morpholine 1858.3
    tert-butylamine 1444.77
    n-dodecanol 493.91
    dimethoxymethane 1179.3
    ethylene carbonate 1364.54
    cyrene 798.29
    2-ethoxyethyl acetate 986.67
    2-ethylhexyl acetate 1085.59
    1,2,4-trichlorobenzene 1677.07
    4-methylpyridine 2024.65
    dibutyl ether 1106.4
    2,6-dimethyl-4-heptanol 587.66
    DEF 1772.02
    dimethyl isosorbide 1299.36
    tetrachloroethylene 2414.08
    eugenol 880.35
    triacetin 1298.44
    span 80 919.25
    1,4-butanediol 482.22
    1,1-dichloroethane 2625.6
    2-methyl-1-pentanol 1026.97
    methyl formate 1024.85
    2-methyl-1-butanol 1295.24
    n-decane 323.07
    butyronitrile 1432.72
    3,7-dimethyl-1-octanol 983.84
    1-chlorooctane 915.63
    1-chlorotetradecane 379.94
    n-nonane 360.37
    undecane 237.23
    tert-butylcyclohexane 474.12
    cyclooctane 301.02
    cyclopentanol 1602.18
    tetrahydropyran 1953.4
    tert-amyl methyl ether 1497.61
    2,5,8-trioxanonane 1125.19
    1-hexene 1388.85
    2-isopropoxyethanol 789.63
    2,2,2-trifluoroethanol 623.88
    methyl butyrate 1399.13

    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
Passion fruit (China) 2 Passiflora edulis Sims var. flavicarpa Dengener, fam. Passifloraceae 0.29%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.02%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%