3-Methylpentyl 2-methylbutyrate

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  • Identifiers

    CAS number
    83783-89-5

    Molecular formula
    C11H22O2

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

  • Odor profile

    Fruity 93.56%
    Apple 67.61%
    Herbal 52.03%
    Green 48.57%
    Sweet 44.02%
    Floral 42.23%
    Tropical 41.83%
    Winey 40.59%
    Pear 38.95%
    Oily 38.42%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point est.
    79.62 ˚C

  • Synonyms

    • 3-Methylpentyl 2-methylbutyrate
    • 83783-89-5
    • EINECS 280-824-7
    • 3-methylpentyl 2-methylbutanoate
    • OGFNJVCHDZQOND-UHFFFAOYSA-N
    • 3-methyl pentyl 2-methyl butyrate
    • DTXSID301003836
    • NS00061940

  • Applications

    3-Methylpentyl 2-methylbutyrate (CAS 83783-89-5) is a fruity, slightly green ester used mainly in fragrances and flavor formulations, imparting ripe apple/pear/banana and tropical nuances; it is applied in fine fragrances, air care, candles, shampoos, body washes, soaps, detergents, and alcohol- or oil-based bases; in food flavoring (where permitted by regulations) it can add crisp, fresh top notes to beverages, confectionery, and baked goods at very low levels; it also serves as a reference compound for sensory research, formulation work, and analytical method development/calibration (e.g., GC–olfactometry, HS‑SPME), and as a model material in R&D to study volatility, matrix interactions, and aroma stability across product systems.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7323.72
    methanol 7326.31
    isopropanol 6300.98
    water 1.41
    ethyl acetate 8078.03
    n-propanol 5840.33
    acetone 9348.82
    n-butanol 5757.97
    acetonitrile 7087.11
    DMF 5241.34
    toluene 2379.86
    isobutanol 5250.82
    1,4-dioxane 8459.96
    methyl acetate 5387.01
    THF 7731.28
    2-butanone 6956.45
    n-pentanol 3740.54
    sec-butanol 6197.86
    n-hexane 1847.95
    ethylene glycol 427.23
    NMP 4287.9
    cyclohexane 2475.14
    DMSO 4111.32
    n-butyl acetate 7105.29
    n-octanol 1812.73
    chloroform 13376.21
    n-propyl acetate 4989.63
    acetic acid 6318.07
    dichloromethane 10211.67
    cyclohexanone 9520.85
    propylene glycol 934.19
    isopropyl acetate 5153.1
    DMAc 3815.27
    2-ethoxyethanol 3432.47
    isopentanol 6061.76
    n-heptane 548.71
    ethyl formate 3764.22
    1,2-dichloroethane 7733.51
    n-hexanol 4464.13
    2-methoxyethanol 4897.78
    isobutyl acetate 2871.1
    tetrachloromethane 2676.61
    n-pentyl acetate 3301.41
    transcutol 11515.6
    n-heptanol 1788.32
    ethylbenzene 1706.21
    MIBK 3488.27
    2-propoxyethanol 4266.3
    tert-butanol 9123.41
    MTBE 10246.99
    2-butoxyethanol 2552.79
    propionic acid 4038.1
    o-xylene 1628.34
    formic acid 1213.16
    diethyl ether 8351.98
    m-xylene 1626.09
    p-xylene 2578.08
    chlorobenzene 4312.4
    dimethyl carbonate 834.07
    n-octane 254.16
    formamide 1888.93
    cyclopentanone 6811.32
    2-pentanone 5891.16
    anisole 2774.12
    cyclopentyl methyl ether 4714.86
    gamma-butyrolactone 6740.51
    1-methoxy-2-propanol 3684.12
    pyridine 7203.89
    3-pentanone 3769.63
    furfural 4922.8
    n-dodecane 168.47
    diethylene glycol 1964.72
    diisopropyl ether 2585.85
    tert-amyl alcohol 8307.27
    acetylacetone 4757.91
    n-hexadecane 202.1
    acetophenone 2357.0
    methyl propionate 3555.56
    isopentyl acetate 5906.26
    trichloroethylene 13330.35
    n-nonanol 1535.9
    cyclohexanol 5925.5
    benzyl alcohol 2008.36
    2-ethylhexanol 2779.65
    isooctanol 1618.36
    dipropyl ether 3121.24
    1,2-dichlorobenzene 3498.41
    ethyl lactate 1070.13
    propylene carbonate 3645.29
    n-methylformamide 3029.83
    2-pentanol 4759.97
    n-pentane 1062.19
    1-propoxy-2-propanol 3612.73
    1-methoxy-2-propyl acetate 3537.53
    2-(2-methoxypropoxy) propanol 1993.2
    mesitylene 1142.82
    ε-caprolactone 7720.78
    p-cymene 957.43
    epichlorohydrin 7764.0
    1,1,1-trichloroethane 9526.46
    2-aminoethanol 1528.41
    morpholine-4-carbaldehyde 4576.24
    sulfolane 5328.8
    2,2,4-trimethylpentane 589.98
    2-methyltetrahydrofuran 8282.34
    n-hexyl acetate 4102.73
    isooctane 464.11
    2-(2-butoxyethoxy)ethanol 3041.91
    sec-butyl acetate 3680.28
    tert-butyl acetate 4425.68
    decalin 903.13
    glycerin 959.18
    diglyme 5307.4
    acrylic acid 2661.46
    isopropyl myristate 1258.67
    n-butyric acid 7624.17
    acetyl acetate 3810.04
    di(2-ethylhexyl) phthalate 961.9
    ethyl propionate 3509.67
    nitromethane 8135.36
    1,2-diethoxyethane 5712.66
    benzonitrile 3668.25
    trioctyl phosphate 704.38
    1-bromopropane 5393.54
    gamma-valerolactone 7859.55
    n-decanol 1045.4
    triethyl phosphate 963.8
    4-methyl-2-pentanol 2513.87
    propionitrile 5081.3
    vinylene carbonate 3284.23
    1,1,2-trichlorotrifluoroethane 4177.27
    DMS 2044.11
    cumene 1167.97
    2-octanol 1501.35
    2-hexanone 4645.19
    octyl acetate 1532.75
    limonene 1736.44
    1,2-dimethoxyethane 6859.48
    ethyl orthosilicate 1069.78
    tributyl phosphate 1059.27
    diacetone alcohol 3329.89
    N,N-dimethylaniline 1617.73
    acrylonitrile 4624.56
    aniline 2969.38
    1,3-propanediol 3068.36
    bromobenzene 4638.39
    dibromomethane 7642.62
    1,1,2,2-tetrachloroethane 11434.82
    2-methyl-cyclohexyl acetate 2191.01
    tetrabutyl urea 1151.49
    diisobutyl methanol 1392.95
    2-phenylethanol 2255.46
    styrene 2254.15
    dioctyl adipate 1484.91
    dimethyl sulfate 1172.56
    ethyl butyrate 3664.26
    methyl lactate 1000.15
    butyl lactate 1831.53
    diethyl carbonate 1951.92
    propanediol butyl ether 2090.66
    triethyl orthoformate 2066.03
    p-tert-butyltoluene 920.22
    methyl 4-tert-butylbenzoate 1727.52
    morpholine 10130.42
    tert-butylamine 6759.72
    n-dodecanol 742.37
    dimethoxymethane 2760.39
    ethylene carbonate 3213.57
    cyrene 1302.17
    2-ethoxyethyl acetate 3409.96
    2-ethylhexyl acetate 4270.4
    1,2,4-trichlorobenzene 3636.46
    4-methylpyridine 7136.4
    dibutyl ether 3225.02
    2,6-dimethyl-4-heptanol 1392.95
    DEF 5544.24
    dimethyl isosorbide 2839.19
    tetrachloroethylene 7548.31
    eugenol 1656.74
    triacetin 2233.24
    span 80 2037.37
    1,4-butanediol 1146.52
    1,1-dichloroethane 9850.59
    2-methyl-1-pentanol 4108.35
    methyl formate 2003.87
    2-methyl-1-butanol 5544.18
    n-decane 342.79
    butyronitrile 6214.92
    3,7-dimethyl-1-octanol 2092.96
    1-chlorooctane 1478.31
    1-chlorotetradecane 472.39
    n-nonane 356.43
    undecane 231.06
    tert-butylcyclohexane 820.42
    cyclooctane 550.52
    cyclopentanol 4348.31
    tetrahydropyran 11394.28
    tert-amyl methyl ether 5596.74
    2,5,8-trioxanonane 2841.7
    1-hexene 4597.28
    2-isopropoxyethanol 2773.63
    2,2,2-trifluoroethanol 1442.08
    methyl butyrate 5436.32

    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
Roman chamomile (India) 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 1.3%