Isoamyl levulinate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    71172-75-3

    Molecular formula
    C10H18O3

    SMILES
    CC(C)CCOC(=O)CCC(=O)C

  • Odor profile

    Fragrance
    Fruity 93.77%
    Caramellic 64.27%
    Winey 56.46%
    Sweet 54.15%
    Oily 47.95%
    Apple 39.81%
    Buttery 39.78%
    Herbal 39.71%
    Fatty 36.8%
    Fermented 35.52%

     

    Flavor
    Fruity 89.5%
    Sweet 72.88%
    Pineapple 64.64%
    Apple 48.29%
    Banana 48.19%
    Tropical 45.0%
    Berry 44.34%
    Fruit 44.13%
    Green 42.17%
    Ripe 35.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.38 (weak base)

    Molecular weight
    186.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 97.1 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • ISOAMYL LEVULINATE
    • 71172-75-3
    • Isopentyl levulinate
    • 3-methylbutyl 4-oxopentanoate
    • FEMA No. 4481
    • Levulinic acid, isopentyl ester
    • Pentanoic acid, 4-oxo-, 3-methylbutyl ester
    • P35CN794AQ
    • UNII-P35CN794AQ
    • iso-Amyl levulinate
    • DTXSID30221367
    • 4-oxo-pentanoic acid isopentyl ester
    • Isopentyl 4-oxopentanoate
    • Isopentyl 4-oxopentanoate #
    • SCHEMBL527566
    • DTXCID30143858
    • AKOS006271981
    • NS00022719
    • Q27286069
    • 615-259-0

  • Applications

    Isoamyl levulinate (CAS 71172-75-3) is primarily used as a solvent and fragrance fixative in perfumery and cosmetics, helping dissolve aroma components and extend scent longevity. It is also employed as a plasticizer and processing aid in coatings, plastics, and printing systems. As a versatile solvent, it is often evaluated for industrial chemical applications, adhesives, and household-care products, and it can serve as an intermediate in chemical syntheses. Its use depends on formulation requirements and local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1454.17
    methanol 2053.43
    isopropanol 1073.04
    water 6.43
    ethyl acetate 429.78
    n-propanol 708.92
    acetone 719.3
    n-butanol 646.18
    acetonitrile 550.58
    DMF 939.78
    toluene 144.65
    isobutanol 492.96
    1,4-dioxane 1011.34
    methyl acetate 465.95
    THF 1045.83
    2-butanone 442.25
    n-pentanol 449.56
    sec-butanol 643.69
    n-hexane 28.21
    ethylene glycol 224.54
    NMP 656.3
    cyclohexane 40.44
    DMSO 835.44
    n-butyl acetate 302.4
    n-octanol 161.33
    chloroform 1256.46
    n-propyl acetate 252.94
    acetic acid 1171.17
    dichloromethane 857.38
    cyclohexanone 611.75
    propylene glycol 388.17
    isopropyl acetate 279.1
    DMAc 952.22
    2-ethoxyethanol 665.49
    isopentanol 546.75
    n-heptane 10.62
    ethyl formate 358.92
    1,2-dichloroethane 441.54
    n-hexanol 341.63
    2-methoxyethanol 1153.56
    isobutyl acetate 193.17
    tetrachloromethane 104.31
    n-pentyl acetate 168.1
    transcutol 1514.79
    n-heptanol 129.38
    ethylbenzene 109.67
    MIBK 233.26
    2-propoxyethanol 580.71
    tert-butanol 1064.96
    MTBE 456.04
    2-butoxyethanol 302.45
    propionic acid 527.81
    o-xylene 115.1
    formic acid 431.29
    diethyl ether 307.98
    m-xylene 114.85
    p-xylene 169.04
    chlorobenzene 221.03
    dimethyl carbonate 105.18
    n-octane 6.62
    formamide 512.19
    cyclopentanone 586.43
    2-pentanone 327.08
    anisole 291.88
    cyclopentyl methyl ether 319.39
    gamma-butyrolactone 703.59
    1-methoxy-2-propanol 712.4
    pyridine 531.05
    3-pentanone 184.4
    furfural 677.67
    n-dodecane 7.8
    diethylene glycol 481.78
    diisopropyl ether 79.93
    tert-amyl alcohol 687.47
    acetylacetone 413.89
    n-hexadecane 8.67
    acetophenone 276.28
    methyl propionate 250.74
    isopentyl acetate 304.12
    trichloroethylene 902.71
    n-nonanol 136.89
    cyclohexanol 477.25
    benzyl alcohol 309.52
    2-ethylhexanol 175.49
    isooctanol 110.04
    dipropyl ether 115.63
    1,2-dichlorobenzene 212.09
    ethyl lactate 152.29
    propylene carbonate 412.67
    n-methylformamide 474.24
    2-pentanol 355.14
    n-pentane 20.79
    1-propoxy-2-propanol 355.82
    1-methoxy-2-propyl acetate 308.44
    2-(2-methoxypropoxy) propanol 349.78
    mesitylene 68.2
    ε-caprolactone 592.95
    p-cymene 63.25
    epichlorohydrin 726.33
    1,1,1-trichloroethane 449.35
    2-aminoethanol 523.68
    morpholine-4-carbaldehyde 860.21
    sulfolane 652.63
    2,2,4-trimethylpentane 18.59
    2-methyltetrahydrofuran 687.24
    n-hexyl acetate 289.76
    isooctane 11.96
    2-(2-butoxyethoxy)ethanol 485.51
    sec-butyl acetate 202.33
    tert-butyl acetate 301.05
    decalin 28.99
    glycerin 435.44
    diglyme 801.19
    acrylic acid 415.79
    isopropyl myristate 99.18
    n-butyric acid 740.09
    acetyl acetate 295.2
    di(2-ethylhexyl) phthalate 124.14
    ethyl propionate 201.9
    nitromethane 1081.92
    1,2-diethoxyethane 334.93
    benzonitrile 331.16
    trioctyl phosphate 78.59
    1-bromopropane 242.08
    gamma-valerolactone 964.88
    n-decanol 95.68
    triethyl phosphate 103.09
    4-methyl-2-pentanol 205.98
    propionitrile 334.13
    vinylene carbonate 387.28
    1,1,2-trichlorotrifluoroethane 692.16
    DMS 207.26
    cumene 82.55
    2-octanol 95.57
    2-hexanone 273.49
    octyl acetate 132.83
    limonene 93.88
    1,2-dimethoxyethane 958.68
    ethyl orthosilicate 103.17
    tributyl phosphate 111.75
    diacetone alcohol 429.6
    N,N-dimethylaniline 200.63
    acrylonitrile 401.14
    aniline 297.81
    1,3-propanediol 711.08
    bromobenzene 204.14
    dibromomethane 534.86
    1,1,2,2-tetrachloroethane 842.09
    2-methyl-cyclohexyl acetate 192.38
    tetrabutyl urea 130.85
    diisobutyl methanol 89.96
    2-phenylethanol 257.37
    styrene 141.32
    dioctyl adipate 174.56
    dimethyl sulfate 175.83
    ethyl butyrate 198.54
    methyl lactate 189.17
    butyl lactate 177.5
    diethyl carbonate 146.07
    propanediol butyl ether 353.16
    triethyl orthoformate 147.89
    p-tert-butyltoluene 60.94
    methyl 4-tert-butylbenzoate 214.71
    morpholine 1264.51
    tert-butylamine 528.01
    n-dodecanol 70.26
    dimethoxymethane 377.24
    ethylene carbonate 326.85
    cyrene 289.63
    2-ethoxyethyl acetate 266.76
    2-ethylhexyl acetate 215.87
    1,2,4-trichlorobenzene 278.64
    4-methylpyridine 574.32
    dibutyl ether 153.04
    2,6-dimethyl-4-heptanol 89.96
    DEF 415.42
    dimethyl isosorbide 455.72
    tetrachloroethylene 475.59
    eugenol 243.81
    triacetin 313.52
    span 80 303.28
    1,4-butanediol 298.59
    1,1-dichloroethane 552.72
    2-methyl-1-pentanol 402.99
    methyl formate 298.97
    2-methyl-1-butanol 448.85
    n-decane 13.05
    butyronitrile 419.23
    3,7-dimethyl-1-octanol 174.46
    1-chlorooctane 69.2
    1-chlorotetradecane 26.68
    n-nonane 11.65
    undecane 9.73
    tert-butylcyclohexane 28.76
    cyclooctane 10.43
    cyclopentanol 483.0
    tetrahydropyran 697.43
    tert-amyl methyl ether 298.04
    2,5,8-trioxanonane 555.88
    1-hexene 139.69
    2-isopropoxyethanol 423.56
    2,2,2-trifluoroethanol 311.16
    methyl butyrate 320.08

    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