Pentanoic acid, 2-methyl-, 2-methylpentyl ester

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  • Identifiers

    CAS number
    90397-38-9

    Molecular formula
    C12H24O2

    SMILES
    CCCC(C)COC(=O)C(C)CCC

  • Odor profile

    Fragrance
    Fruity 82.99%
    Oily 60.56%
    Fatty 56.52%
    Herbal 51.17%
    Floral 46.4%
    Apple 45.87%
    Sweet 43.48%
    Winey 40.69%
    Waxy 34.76%
    Rose 29.68%

     

    Flavor
    Fruity 74.93%
    Green 67.81%
    Apple 44.37%
    Tropical 42.9%
    Sweet 40.02%
    Berry 34.75%
    Herbal 33.69%
    Waxy 33.46%
    Pineapple 31.08%
    Oily 29.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.18 (weak base)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

    Flash point

    • 90.26 ˚C est.

  • Synonyms

    • 2-Methylpentyl 2-methylpentanoate
    • 90397-38-9
    • 2-Methylpentyl 2-methylvalerate
    • EINECS 291-418-4
    • Pentanoic acid, 2-methyl-, 2-methylpentyl ester
    • DTXSID2052605
    • pear valerate
    • SCHEMBL2012383
    • DTXCID6031178
    • UMFWRNLJDQMTFR-UHFFFAOYSA-N
    • NS00012967

  • Applications

    Pentanoic acid, 2-methyl-, 2-methylpentyl ester (CAS 90397-38-9) is used as a fragrance ingredient and fixative in perfumery and in scented cosmetics and personal care products. It also serves as a fragrance component in household products such as cleaners and air fresheners. In industrial formulations, it can function as a solvent or processing aid in coatings, inks, and adhesives, and may act as a plasticizer in select polymer systems to modify flexibility. Its use is typically formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11328.28
    methanol 12722.42
    isopropanol 8804.95
    water 1.33
    ethyl acetate 8693.5
    n-propanol 8379.19
    acetone 9700.36
    n-butanol 8872.55
    acetonitrile 8015.55
    DMF 6088.25
    toluene 3290.81
    isobutanol 7023.24
    1,4-dioxane 8812.69
    methyl acetate 5118.95
    THF 8855.45
    2-butanone 7339.73
    n-pentanol 5746.08
    sec-butanol 7888.16
    n-hexane 2477.49
    ethylene glycol 586.91
    NMP 4131.79
    cyclohexane 3071.02
    DMSO 4354.7
    n-butyl acetate 11011.05
    n-octanol 2698.74
    chloroform 13514.38
    n-propyl acetate 6087.06
    acetic acid 6288.97
    dichloromethane 10875.01
    cyclohexanone 10104.0
    propylene glycol 1089.54
    isopropyl acetate 6001.06
    DMAc 4157.96
    2-ethoxyethanol 4515.55
    isopentanol 8255.2
    n-heptane 1082.06
    ethyl formate 5534.08
    1,2-dichloroethane 8033.26
    n-hexanol 7701.88
    2-methoxyethanol 6454.53
    isobutyl acetate 3604.25
    tetrachloromethane 2895.09
    n-pentyl acetate 4697.89
    transcutol 11294.71
    n-heptanol 2933.62
    ethylbenzene 2274.02
    MIBK 4214.17
    2-propoxyethanol 6848.97
    tert-butanol 9699.49
    MTBE 10703.99
    2-butoxyethanol 3739.37
    propionic acid 3796.76
    o-xylene 1900.34
    formic acid 1545.61
    diethyl ether 9441.06
    m-xylene 1988.27
    p-xylene 3239.69
    chlorobenzene 4912.38
    dimethyl carbonate 971.21
    n-octane 484.19
    formamide 1986.73
    cyclopentanone 6493.84
    2-pentanone 7318.82
    anisole 3247.77
    cyclopentyl methyl ether 5146.32
    gamma-butyrolactone 5997.72
    1-methoxy-2-propanol 4623.6
    pyridine 8065.7
    3-pentanone 3869.0
    furfural 5612.21
    n-dodecane 258.23
    diethylene glycol 2694.28
    diisopropyl ether 3020.31
    tert-amyl alcohol 8452.68
    acetylacetone 5001.92
    n-hexadecane 308.24
    acetophenone 2782.33
    methyl propionate 3740.24
    isopentyl acetate 9485.54
    trichloroethylene 13218.17
    n-nonanol 2135.18
    cyclohexanol 7066.82
    benzyl alcohol 2608.45
    2-ethylhexanol 4907.55
    isooctanol 2570.9
    dipropyl ether 4629.5
    1,2-dichlorobenzene 3669.06
    ethyl lactate 1258.08
    propylene carbonate 4134.04
    n-methylformamide 3843.94
    2-pentanol 6833.98
    n-pentane 1653.51
    1-propoxy-2-propanol 5486.35
    1-methoxy-2-propyl acetate 4499.73
    2-(2-methoxypropoxy) propanol 2158.52
    mesitylene 1325.19
    ε-caprolactone 8201.78
    p-cymene 1457.27
    epichlorohydrin 8304.94
    1,1,1-trichloroethane 8546.8
    2-aminoethanol 2066.74
    morpholine-4-carbaldehyde 4729.29
    sulfolane 4399.24
    2,2,4-trimethylpentane 749.82
    2-methyltetrahydrofuran 8997.62
    n-hexyl acetate 5201.66
    isooctane 613.83
    2-(2-butoxyethoxy)ethanol 3384.82
    sec-butyl acetate 4194.39
    tert-butyl acetate 4905.62
    decalin 1103.27
    glycerin 1072.45
    diglyme 6304.78
    acrylic acid 2512.4
    isopropyl myristate 1510.92
    n-butyric acid 9247.04
    acetyl acetate 3693.19
    di(2-ethylhexyl) phthalate 1132.98
    ethyl propionate 3954.1
    nitromethane 7326.87
    1,2-diethoxyethane 6720.75
    benzonitrile 4778.93
    trioctyl phosphate 920.58
    1-bromopropane 6672.35
    gamma-valerolactone 8587.15
    n-decanol 1382.17
    triethyl phosphate 1218.58
    4-methyl-2-pentanol 3284.27
    propionitrile 6327.68
    vinylene carbonate 3775.67
    1,1,2-trichlorotrifluoroethane 4452.05
    DMS 2028.05
    cumene 1492.03
    2-octanol 2343.56
    2-hexanone 5811.8
    octyl acetate 1894.76
    limonene 2588.51
    1,2-dimethoxyethane 8918.25
    ethyl orthosilicate 1378.61
    tributyl phosphate 1246.48
    diacetone alcohol 3483.16
    N,N-dimethylaniline 1985.53
    acrylonitrile 5623.1
    aniline 3362.91
    1,3-propanediol 4006.25
    bromobenzene 5326.24
    dibromomethane 8424.42
    1,1,2,2-tetrachloroethane 10333.6
    2-methyl-cyclohexyl acetate 2809.27
    tetrabutyl urea 1386.77
    diisobutyl methanol 2149.93
    2-phenylethanol 3217.36
    styrene 2830.44
    dioctyl adipate 1770.38
    dimethyl sulfate 1050.29
    ethyl butyrate 4893.19
    methyl lactate 1132.73
    butyl lactate 2489.17
    diethyl carbonate 2445.47
    propanediol butyl ether 2653.15
    triethyl orthoformate 2724.86
    p-tert-butyltoluene 1324.12
    methyl 4-tert-butylbenzoate 1962.32
    morpholine 10878.16
    tert-butylamine 7382.15
    n-dodecanol 975.78
    dimethoxymethane 3866.94
    ethylene carbonate 3856.31
    cyrene 1389.96
    2-ethoxyethyl acetate 4172.8
    2-ethylhexyl acetate 6806.04
    1,2,4-trichlorobenzene 3553.5
    4-methylpyridine 8844.78
    dibutyl ether 4330.69
    2,6-dimethyl-4-heptanol 2149.93
    DEF 6423.43
    dimethyl isosorbide 2944.69
    tetrachloroethylene 7346.29
    eugenol 1964.89
    triacetin 2261.02
    span 80 2255.5
    1,4-butanediol 1695.47
    1,1-dichloroethane 9763.14
    2-methyl-1-pentanol 5815.59
    methyl formate 2620.87
    2-methyl-1-butanol 7385.47
    n-decane 561.6
    butyronitrile 9764.55
    3,7-dimethyl-1-octanol 2904.36
    1-chlorooctane 2074.45
    1-chlorotetradecane 640.82
    n-nonane 621.05
    undecane 353.9
    tert-butylcyclohexane 1028.97
    cyclooctane 754.59
    cyclopentanol 5006.78
    tetrahydropyran 12720.72
    tert-amyl methyl ether 6174.8
    2,5,8-trioxanonane 3140.44
    1-hexene 6378.5
    2-isopropoxyethanol 3417.77
    2,2,2-trifluoroethanol 1270.24
    methyl butyrate 6836.49

    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