Pentyl 2-methylvalerate

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  • Identifiers

    CAS number
    6297-48-9

    Molecular formula
    C11H22O2

    SMILES
    CCCCCOC(=O)C(C)CCC

  • Odor profile

    Fragrance
    Fruity 92.61%
    Apple 62.53%
    Oily 56.66%
    Herbal 54.65%
    Fatty 52.69%
    Winey 49.19%
    Floral 43.67%
    Sweet 38.3%
    Green 37.7%
    Waxy 36.19%

     

    Flavor
    Fruity 89.39%
    Green 77.73%
    Apple 62.43%
    Sweet 54.35%
    Tropical 50.11%
    Pineapple 44.95%
    Berry 42.5%
    Pear 42.09%
    Waxy 37.31%
    Wine 32.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.28 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    214°C

    Flash point

    • 85.17 ˚C est.

  • Synonyms

    • Amyl 2-methylvalerate
    • Pentyl 2-methylvalerate
    • 6297-48-9
    • Pentanoic acid, 2-methyl-, pentyl ester
    • EINECS 228-570-8
    • Valeric acid, 2-methyl-, pentyl ester
    • Pentyl 2-methylpentanoate
    • DTXSID301040117
    • Amyl-2-methylvalerate
    • NSC 17896
    • amyl 2-methyl valerate
    • pentyl alpha-methylpentanate
    • Pentyl 2-methylpentanoate #
    • SCHEMBL7224695
    • SDCYWLNURCILGU-UHFFFAOYSA-
    • DTXCID301524105
    • NSC17896
    • NSC-17896
    • AKOS006239994
    • NS00043924
    • InChI=1/C11H22O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h10H,4-9H2,1-3H3
    • 228-570-8

  • Applications

    Pentyl 2-methylvalerate is an ester of 2-methylpentanoic acid and pentanol. In practice, it is used primarily as a fragrance ingredient in perfumery and cosmetics, serving as an odorant and, in some formulations, as a fixative or carrier for aromas. It is also encountered in household products such as air fresheners and laundry detergents as a fragrance component. In industrial manufacturing, it may be employed as an aroma chemical intermediate or blending component within coatings, inks, and other formulation systems. Additionally, it can be evaluated as a processing aid or solvent-like component in specialty formulations, with exact usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15116.87
    methanol 17131.42
    isopropanol 12962.58
    water 1.19
    ethyl acetate 13154.3
    n-propanol 11752.4
    acetone 18077.93
    n-butanol 12077.0
    acetonitrile 14345.4
    DMF 11777.38
    toluene 4980.27
    isobutanol 10483.9
    1,4-dioxane 12826.28
    methyl acetate 8686.42
    THF 12425.67
    2-butanone 12123.2
    n-pentanol 7701.35
    sec-butanol 11504.9
    n-hexane 3850.12
    ethylene glycol 872.33
    NMP 7360.35
    cyclohexane 4867.53
    DMSO 8353.24
    n-butyl acetate 14428.81
    n-octanol 3593.9
    chloroform 22193.14
    n-propyl acetate 9050.49
    acetic acid 9448.13
    dichloromethane 18637.22
    cyclohexanone 16696.31
    propylene glycol 1597.96
    isopropyl acetate 8479.53
    DMAc 6992.12
    2-ethoxyethanol 6079.56
    isopentanol 11554.74
    n-heptane 1415.81
    ethyl formate 7870.08
    1,2-dichloroethane 14348.01
    n-hexanol 9033.05
    2-methoxyethanol 9136.01
    isobutyl acetate 5096.33
    tetrachloromethane 4710.71
    n-pentyl acetate 6676.2
    transcutol 15541.41
    n-heptanol 3522.19
    ethylbenzene 3214.48
    MIBK 6010.77
    2-propoxyethanol 8431.62
    tert-butanol 14287.75
    MTBE 15901.08
    2-butoxyethanol 4746.88
    propionic acid 6454.46
    o-xylene 2734.63
    formic acid 2155.79
    diethyl ether 14790.17
    m-xylene 2792.04
    p-xylene 4475.69
    chlorobenzene 8037.18
    dimethyl carbonate 1654.47
    n-octane 624.98
    formamide 3035.28
    cyclopentanone 11201.22
    2-pentanone 11143.27
    anisole 4771.35
    cyclopentyl methyl ether 7878.82
    gamma-butyrolactone 10270.76
    1-methoxy-2-propanol 6322.03
    pyridine 13703.14
    3-pentanone 6562.33
    furfural 8652.65
    n-dodecane 343.01
    diethylene glycol 3437.93
    diisopropyl ether 4162.14
    tert-amyl alcohol 12736.01
    acetylacetone 7866.47
    n-hexadecane 414.78
    acetophenone 4180.44
    methyl propionate 6115.08
    isopentyl acetate 11733.17
    trichloroethylene 23177.48
    n-nonanol 2829.5
    cyclohexanol 10982.08
    benzyl alcohol 3713.43
    2-ethylhexanol 5717.64
    isooctanol 3073.16
    dipropyl ether 6372.48
    1,2-dichlorobenzene 5948.97
    ethyl lactate 1839.97
    propylene carbonate 6109.76
    n-methylformamide 6782.88
    2-pentanol 9669.88
    n-pentane 2535.36
    1-propoxy-2-propanol 6832.04
    1-methoxy-2-propyl acetate 5672.47
    2-(2-methoxypropoxy) propanol 2788.52
    mesitylene 1862.07
    ε-caprolactone 12789.79
    p-cymene 1837.98
    epichlorohydrin 13263.46
    1,1,1-trichloroethane 14563.42
    2-aminoethanol 2900.26
    morpholine-4-carbaldehyde 7394.82
    sulfolane 7999.35
    2,2,4-trimethylpentane 968.65
    2-methyltetrahydrofuran 12916.75
    n-hexyl acetate 7384.81
    isooctane 788.3
    2-(2-butoxyethoxy)ethanol 4308.6
    sec-butyl acetate 5886.75
    tert-butyl acetate 6692.66
    decalin 1535.87
    glycerin 1560.89
    diglyme 8315.46
    acrylic acid 4431.11
    isopropyl myristate 2095.13
    n-butyric acid 13283.37
    acetyl acetate 5656.18
    di(2-ethylhexyl) phthalate 1477.27
    ethyl propionate 6096.56
    nitromethane 12949.71
    1,2-diethoxyethane 9528.04
    benzonitrile 7548.13
    trioctyl phosphate 1196.43
    1-bromopropane 11282.18
    gamma-valerolactone 12801.94
    n-decanol 1823.02
    triethyl phosphate 1656.28
    4-methyl-2-pentanol 4315.37
    propionitrile 11189.52
    vinylene carbonate 5913.68
    1,1,2-trichlorotrifluoroethane 7257.21
    DMS 3046.93
    cumene 2026.86
    2-octanol 2902.31
    2-hexanone 8639.92
    octyl acetate 2545.43
    limonene 3362.31
    1,2-dimethoxyethane 12763.57
    ethyl orthosilicate 1843.95
    tributyl phosphate 1715.09
    diacetone alcohol 4926.92
    N,N-dimethylaniline 2860.88
    acrylonitrile 10395.9
    aniline 5431.66
    1,3-propanediol 5304.86
    bromobenzene 8795.95
    dibromomethane 14478.29
    1,1,2,2-tetrachloroethane 17869.08
    2-methyl-cyclohexyl acetate 3540.43
    tetrabutyl urea 2014.34
    diisobutyl methanol 2630.36
    2-phenylethanol 4103.74
    styrene 4504.01
    dioctyl adipate 2368.29
    dimethyl sulfate 1936.95
    ethyl butyrate 6431.9
    methyl lactate 1757.93
    butyl lactate 3413.06
    diethyl carbonate 3266.06
    propanediol butyl ether 3507.21
    triethyl orthoformate 3480.03
    p-tert-butyltoluene 1678.63
    methyl 4-tert-butylbenzoate 2702.39
    morpholine 16149.49
    tert-butylamine 11065.4
    n-dodecanol 1269.42
    dimethoxymethane 5953.18
    ethylene carbonate 5925.08
    cyrene 1812.57
    2-ethoxyethyl acetate 5782.01
    2-ethylhexyl acetate 8324.12
    1,2,4-trichlorobenzene 5657.88
    4-methylpyridine 13970.81
    dibutyl ether 6550.28
    2,6-dimethyl-4-heptanol 2630.36
    DEF 10721.32
    dimethyl isosorbide 3991.93
    tetrachloroethylene 12371.16
    eugenol 2652.99
    triacetin 3254.55
    span 80 2936.38
    1,4-butanediol 2215.81
    1,1-dichloroethane 17106.84
    2-methyl-1-pentanol 7650.33
    methyl formate 4423.17
    2-methyl-1-butanol 10496.77
    n-decane 757.8
    butyronitrile 15234.7
    3,7-dimethyl-1-octanol 3643.41
    1-chlorooctane 2950.58
    1-chlorotetradecane 857.9
    n-nonane 852.72
    undecane 470.58
    tert-butylcyclohexane 1368.12
    cyclooctane 1108.8
    cyclopentanol 7881.28
    tetrahydropyran 18964.06
    tert-amyl methyl ether 9081.62
    2,5,8-trioxanonane 4241.86
    1-hexene 9955.37
    2-isopropoxyethanol 4611.49
    2,2,2-trifluoroethanol 2084.56
    methyl butyrate 10537.13

    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