Isopropyl butyrate

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  • Identifiers

    CAS number
    638-11-9

    Molecular formula
    C7H14O2

    SMILES
    CCCC(=O)OC(C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 842.0
    • Carbowax: 1030.0

  • Odor profile

    Fruity 97.55%
    Sweet 79.95%
    Pineapple 73.56%
    Ethereal 68.62%
    Apple 66.08%
    Banana 65.32%
    Rummy 48.46%
    Ripe 47.04%
    Tropical 44.54%
    Pear 44.04%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    130.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 130.00 to 131.00 °C. @ 760.00 mm Hg

    Flash point est.
    33.76 ˚C

    Solubility expt.

    • very slightly
    • insoluble in water; soluble in alcohol and oils

  • Synonyms

    • Isopropyl butyrate
    • 638-11-9
    • Isopropyl butanoate
    • Butyric acid, isopropyl ester
    • propan-2-yl butanoate
    • 1-Methylethyl butanoate
    • BUTANOIC ACID, 1-METHYLETHYL ESTER
    • Isopropyl n-butyrate
    • 2-Propyl butanoate
    • n-Butyric acid isopropyl ester
    • FEMA No. 2935
    • UNII-7P33GFV8SS
    • 7P33GFV8SS
    • n-C3H7C(O)OCH(CH3)2
    • Butanoic acid, 2-methylethyl ester
    • EINECS 211-320-7
    • WE(2:0(1Me)/4:0)
    • butanoic acid isopropyl ester
    • Butyric Acid Isopropyl Ester
    • AI3-35952
    • DTXSID5075288
    • FEMA 2935
    • ISOPROPYL BUTYRATE [FHFI]
    • UN 2405
    • ISO PROPYL BUTYRATE
    • ISOPROPYLBUTYRATE
    • 1-Methylethyl Butanoate; 2-Propyl Butanoate; Butanoic Acid Isopropyl Ester;
    • MFCD00009390
    • UN2405
    • Isopropyl butyric acid
    • Isopropyl butyrate, 99%
    • ISO-PROPANOL BUTYRATE
    • SCHEMBL120124
    • DTXCID0044105
    • CHEBI:89718
    • Isopropyl butyrate, >=98%, FG
    • LMFA07010673
    • AKOS008948343
    • LS-13337
    • DB-003692
    • B0762
    • NS00012723
    • D88682
    • Isopropyl butyrate [UN2405] [Flammable liquid]
    • Isopropyl butyrate [UN2405] [Flammable liquid]
    • Q27161909
    • 211-320-7

  • Applications

    Isopropyl butyrate (CAS 638-11-9) is a fruity, apple/pineapple-like ester used as a flavor ingredient to impart fruity, buttery and rum notes in beverages, confectionery, baked goods and dairy analogs where permitted; as a fragrance material and carrier/solvent for flavors and perfumes, providing quick lift in fine fragrance, soaps, shampoos and personal care; as a medium-evaporation industrial solvent for cellulose, acrylic and alkyd resins in coatings, printing inks and adhesives to enhance solvency, flow, leveling and dry time, and as a diluent/odor modifier in packaging inks; as an organic intermediate and laboratory reference (GC/MS, esterification/hydrolysis studies), and as a mild extractant/cleaning solvent in suitable materials-processing applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1539.64
    methanol 2212.78
    isopropanol 1328.38
    water 12.76
    ethyl acetate 858.85
    n-propanol 1201.44
    acetone 1428.89
    n-butanol 1134.01
    acetonitrile 1324.01
    DMF 1640.95
    toluene 501.22
    isobutanol 969.08
    1,4-dioxane 1560.65
    methyl acetate 812.11
    THF 2112.33
    2-butanone 872.17
    n-pentanol 811.29
    sec-butanol 1146.92
    n-hexane 558.77
    ethylene glycol 362.57
    NMP 1771.2
    cyclohexane 744.66
    DMSO 1276.99
    n-butyl acetate 740.78
    n-octanol 779.95
    chloroform 3436.77
    n-propyl acetate 547.2
    acetic acid 2255.83
    dichloromethane 2500.64
    cyclohexanone 1696.79
    propylene glycol 589.5
    isopropyl acetate 536.9
    DMAc 1201.78
    2-ethoxyethanol 637.59
    isopentanol 858.43
    n-heptane 322.67
    ethyl formate 721.35
    1,2-dichloroethane 1115.06
    n-hexanol 1107.24
    2-methoxyethanol 1223.27
    isobutyl acetate 370.28
    tetrachloromethane 537.35
    n-pentyl acetate 548.25
    transcutol 1553.42
    n-heptanol 463.59
    ethylbenzene 385.62
    MIBK 452.39
    2-propoxyethanol 998.64
    tert-butanol 1406.04
    MTBE 798.7
    2-butoxyethanol 503.72
    propionic acid 1183.94
    o-xylene 374.92
    formic acid 574.07
    diethyl ether 871.29
    m-xylene 354.66
    p-xylene 546.17
    chlorobenzene 868.08
    dimethyl carbonate 325.34
    n-octane 126.33
    formamide 500.38
    cyclopentanone 1612.37
    2-pentanone 795.69
    anisole 562.69
    cyclopentyl methyl ether 995.41
    gamma-butyrolactone 1935.73
    1-methoxy-2-propanol 956.89
    pyridine 1274.42
    3-pentanone 586.54
    furfural 1474.94
    n-dodecane 113.58
    diethylene glycol 677.14
    diisopropyl ether 286.08
    tert-amyl alcohol 1150.24
    acetylacetone 833.01
    n-hexadecane 125.26
    acetophenone 568.14
    methyl propionate 686.38
    isopentyl acetate 636.31
    trichloroethylene 2340.28
    n-nonanol 610.04
    cyclohexanol 1316.27
    benzyl alcohol 552.44
    2-ethylhexanol 627.07
    isooctanol 356.4
    dipropyl ether 581.6
    1,2-dichlorobenzene 808.15
    ethyl lactate 318.35
    propylene carbonate 1111.69
    n-methylformamide 892.85
    2-pentanol 799.78
    n-pentane 405.83
    1-propoxy-2-propanol 755.8
    1-methoxy-2-propyl acetate 565.77
    2-(2-methoxypropoxy) propanol 581.31
    mesitylene 259.71
    ε-caprolactone 1367.02
    p-cymene 281.07
    epichlorohydrin 1437.16
    1,1,1-trichloroethane 1368.3
    2-aminoethanol 676.73
    morpholine-4-carbaldehyde 1295.46
    sulfolane 1934.84
    2,2,4-trimethylpentane 164.17
    2-methyltetrahydrofuran 1451.24
    n-hexyl acetate 1038.45
    isooctane 114.46
    2-(2-butoxyethoxy)ethanol 740.97
    sec-butyl acetate 348.22
    tert-butyl acetate 545.26
    decalin 249.62
    glycerin 619.56
    diglyme 1016.63
    acrylic acid 1030.12
    isopropyl myristate 405.56
    n-butyric acid 1422.86
    acetyl acetate 626.59
    di(2-ethylhexyl) phthalate 370.67
    ethyl propionate 514.69
    nitromethane 1995.9
    1,2-diethoxyethane 590.26
    benzonitrile 900.32
    trioctyl phosphate 304.36
    1-bromopropane 989.74
    gamma-valerolactone 1731.7
    n-decanol 430.67
    triethyl phosphate 297.82
    4-methyl-2-pentanol 407.19
    propionitrile 946.78
    vinylene carbonate 1142.74
    1,1,2-trichlorotrifluoroethane 1176.55
    DMS 582.51
    cumene 286.79
    2-octanol 438.47
    2-hexanone 615.41
    octyl acetate 517.46
    limonene 470.42
    1,2-dimethoxyethane 1191.63
    ethyl orthosilicate 274.73
    tributyl phosphate 378.41
    diacetone alcohol 615.7
    N,N-dimethylaniline 440.48
    acrylonitrile 1081.48
    aniline 603.93
    1,3-propanediol 811.32
    bromobenzene 970.54
    dibromomethane 1871.29
    1,1,2,2-tetrachloroethane 1956.18
    2-methyl-cyclohexyl acetate 518.04
    tetrabutyl urea 473.44
    diisobutyl methanol 317.8
    2-phenylethanol 577.39
    styrene 476.49
    dioctyl adipate 581.23
    dimethyl sulfate 529.49
    ethyl butyrate 536.17
    methyl lactate 427.66
    butyl lactate 468.75
    diethyl carbonate 405.87
    propanediol butyl ether 685.65
    triethyl orthoformate 376.02
    p-tert-butyltoluene 274.73
    methyl 4-tert-butylbenzoate 580.09
    morpholine 1590.73
    tert-butylamine 1007.54
    n-dodecanol 334.56
    dimethoxymethane 831.59
    ethylene carbonate 882.64
    cyrene 496.28
    2-ethoxyethyl acetate 520.54
    2-ethylhexyl acetate 505.04
    1,2,4-trichlorobenzene 887.89
    4-methylpyridine 1243.85
    dibutyl ether 681.0
    2,6-dimethyl-4-heptanol 317.8
    DEF 891.95
    dimethyl isosorbide 874.9
    tetrachloroethylene 1273.0
    eugenol 519.45
    triacetin 809.85
    span 80 713.33
    1,4-butanediol 388.7
    1,1-dichloroethane 1439.69
    2-methyl-1-pentanol 703.07
    methyl formate 747.73
    2-methyl-1-butanol 865.42
    n-decane 190.38
    butyronitrile 1069.97
    3,7-dimethyl-1-octanol 602.73
    1-chlorooctane 521.34
    1-chlorotetradecane 218.26
    n-nonane 209.02
    undecane 139.72
    tert-butylcyclohexane 229.64
    cyclooctane 205.91
    cyclopentanol 1353.67
    tetrahydropyran 1664.05
    tert-amyl methyl ether 613.72
    2,5,8-trioxanonane 834.37
    1-hexene 937.97
    2-isopropoxyethanol 444.96
    2,2,2-trifluoroethanol 539.14
    methyl butyrate 710.76

    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
Heracleum platytaenium (Turkey) Heracleum platytaenium Boiss. (syn.H. spathyphyllum C.Koch),fam. Apiaceae 0.01%
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.65%