Butanoic acid, 3-methyl-, decyl ester

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  • Identifiers

    CAS number
    72928-48-4

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCOC(=O)CC(C)C

  • Odor profile

    Fragrance
    Fruity 85.2%
    Oily 68.1%
    Winey 57.16%
    Fatty 56.7%
    Waxy 53.73%
    Herbal 51.44%
    Cognac 48.3%
    Floral 47.13%
    Green 45.64%
    Rose 44.52%

     

    Flavor
    Waxy 61.57%
    Fruity 55.27%
    Oily 55.01%
    Floral 47.8%
    Soapy 44.46%
    Sweet 41.88%
    Green 40.78%
    Rose 36.86%
    Clean 35.13%
    Mild 34.84%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.22 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point

    • 119.05 ˚C est.

  • Synonyms

    • Decyl isovalerate
    • decyl 3-methylbutanoate
    • 72928-48-4
    • Butanoic acid, 3-methyl-, decyl ester
    • EINECS 277-077-4
    • DTXSID20868205
    • Decyl iso-valerate
    • Isovaleriansauredecylester
    • Isovaleric acid, decyl ester
    • SCHEMBL23948108
    • DTXCID90816334
    • NS00012203
    • Q63395423

  • Applications

    Decyl isovalerate, also known by the systematic name Butanoic acid, 3-methyl-, decyl ester (CAS 72928-48-4), is widely used in the fragrance and cosmetics industries as a fragrance ingredient and fixative, providing fruity, warm notes with improved longevity in products such as perfumes, lotions, and bath products. It is also used in household products, including air fresheners and detergents, to impart pleasant odor characteristics. In coatings and inks, it serves as a fragrance additive to enhance scent in consumer applications. Additionally, it can be employed as an intermediate in the synthesis of more complex aroma compounds for fragrance manufacturing, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10112.78
    methanol 8064.29
    isopropanol 12165.77
    water 0.13
    ethyl acetate 10770.06
    n-propanol 9900.91
    acetone 18919.43
    n-butanol 9034.01
    acetonitrile 7594.93
    DMF 8747.07
    toluene 3563.52
    isobutanol 8536.53
    1,4-dioxane 9309.0
    methyl acetate 6557.96
    THF 15921.47
    2-butanone 11657.64
    n-pentanol 5508.51
    sec-butanol 10092.39
    n-hexane 4071.04
    ethylene glycol 338.33
    NMP 6806.41
    cyclohexane 6488.89
    DMSO 8477.68
    n-butyl acetate 9201.4
    n-octanol 2588.88
    chloroform 16144.3
    n-propyl acetate 8223.6
    acetic acid 4936.6
    dichloromethane 14943.02
    cyclohexanone 19595.45
    propylene glycol 1118.07
    isopropyl acetate 7729.28
    DMAc 5441.55
    2-ethoxyethanol 4035.97
    isopentanol 8507.83
    n-heptane 1514.96
    ethyl formate 4883.55
    1,2-dichloroethane 11421.21
    n-hexanol 5115.26
    2-methoxyethanol 6596.22
    isobutyl acetate 4620.99
    tetrachloromethane 3254.02
    n-pentyl acetate 5738.7
    transcutol 10885.71
    n-heptanol 2285.85
    ethylbenzene 2110.21
    MIBK 6422.5
    2-propoxyethanol 5091.1
    tert-butanol 11944.11
    MTBE 12728.98
    2-butoxyethanol 3242.3
    propionic acid 4753.22
    o-xylene 2055.07
    formic acid 607.72
    diethyl ether 12133.06
    m-xylene 2149.88
    p-xylene 2957.17
    chlorobenzene 5241.22
    dimethyl carbonate 1188.67
    n-octane 575.31
    formamide 1123.04
    cyclopentanone 13669.67
    2-pentanone 12057.34
    anisole 2930.66
    cyclopentyl methyl ether 9747.56
    gamma-butyrolactone 10416.16
    1-methoxy-2-propanol 6097.07
    pyridine 9138.28
    3-pentanone 6560.43
    furfural 6255.87
    n-dodecane 259.6
    diethylene glycol 1818.82
    diisopropyl ether 3893.72
    tert-amyl alcohol 9449.09
    acetylacetone 7805.72
    n-hexadecane 320.44
    acetophenone 2840.75
    methyl propionate 5437.71
    isopentyl acetate 7545.01
    trichloroethylene 16562.9
    n-nonanol 2080.46
    cyclohexanol 10129.06
    benzyl alcohol 2226.84
    2-ethylhexanol 3533.79
    isooctanol 2074.91
    dipropyl ether 5975.95
    1,2-dichlorobenzene 4267.22
    ethyl lactate 1688.37
    propylene carbonate 5953.09
    n-methylformamide 3967.18
    2-pentanol 7852.76
    n-pentane 2542.41
    1-propoxy-2-propanol 5094.68
    1-methoxy-2-propyl acetate 4711.81
    2-(2-methoxypropoxy) propanol 2072.13
    mesitylene 1570.93
    ε-caprolactone 11981.13
    p-cymene 1282.2
    epichlorohydrin 11412.05
    1,1,1-trichloroethane 12438.35
    2-aminoethanol 1568.87
    morpholine-4-carbaldehyde 5860.85
    sulfolane 10043.24
    2,2,4-trimethylpentane 803.4
    2-methyltetrahydrofuran 15073.98
    n-hexyl acetate 6503.1
    isooctane 667.33
    2-(2-butoxyethoxy)ethanol 3209.55
    sec-butyl acetate 5542.32
    tert-butyl acetate 7240.34
    decalin 1412.01
    glycerin 942.98
    diglyme 6449.13
    acrylic acid 2474.4
    isopropyl myristate 1890.64
    n-butyric acid 10935.39
    acetyl acetate 4528.21
    di(2-ethylhexyl) phthalate 1160.78
    ethyl propionate 5692.0
    nitromethane 7998.77
    1,2-diethoxyethane 6302.38
    benzonitrile 4251.5
    trioctyl phosphate 987.19
    1-bromopropane 10228.91
    gamma-valerolactone 14055.37
    n-decanol 1320.11
    triethyl phosphate 1365.57
    4-methyl-2-pentanol 3622.93
    propionitrile 6621.6
    vinylene carbonate 4431.05
    1,1,2-trichlorotrifluoroethane 5423.59
    DMS 2570.14
    cumene 1328.94
    2-octanol 2203.49
    2-hexanone 8398.67
    octyl acetate 2241.79
    limonene 2819.34
    1,2-dimethoxyethane 9385.33
    ethyl orthosilicate 1458.71
    tributyl phosphate 1375.94
    diacetone alcohol 5472.82
    N,N-dimethylaniline 1891.37
    acrylonitrile 5190.17
    aniline 3626.96
    1,3-propanediol 3484.31
    bromobenzene 5916.62
    dibromomethane 12014.55
    1,1,2,2-tetrachloroethane 14491.39
    2-methyl-cyclohexyl acetate 3084.78
    tetrabutyl urea 1797.28
    diisobutyl methanol 2054.32
    2-phenylethanol 2175.19
    styrene 2655.14
    dioctyl adipate 2325.41
    dimethyl sulfate 1730.72
    ethyl butyrate 5584.44
    methyl lactate 1615.25
    butyl lactate 2953.13
    diethyl carbonate 2536.25
    propanediol butyl ether 2718.4
    triethyl orthoformate 3050.96
    p-tert-butyltoluene 1200.53
    methyl 4-tert-butylbenzoate 2259.69
    morpholine 13830.36
    tert-butylamine 8465.34
    n-dodecanol 952.6
    dimethoxymethane 4903.3
    ethylene carbonate 4889.35
    cyrene 1593.51
    2-ethoxyethyl acetate 4466.62
    2-ethylhexyl acetate 5596.34
    1,2,4-trichlorobenzene 4376.19
    4-methylpyridine 9152.76
    dibutyl ether 5968.37
    2,6-dimethyl-4-heptanol 2054.32
    DEF 9330.36
    dimethyl isosorbide 3402.28
    tetrachloroethylene 9180.31
    eugenol 1857.57
    triacetin 3364.56
    span 80 2499.55
    1,4-butanediol 1207.78
    1,1-dichloroethane 14481.2
    2-methyl-1-pentanol 4756.68
    methyl formate 2373.35
    2-methyl-1-butanol 7311.3
    n-decane 630.0
    butyronitrile 9876.25
    3,7-dimethyl-1-octanol 2596.98
    1-chlorooctane 2549.52
    1-chlorotetradecane 730.16
    n-nonane 735.36
    undecane 371.41
    tert-butylcyclohexane 1156.0
    cyclooctane 1351.26
    cyclopentanol 9088.43
    tetrahydropyran 19642.46
    tert-amyl methyl ether 6974.77
    2,5,8-trioxanonane 3258.15
    1-hexene 8661.05
    2-isopropoxyethanol 3404.42
    2,2,2-trifluoroethanol 1157.3
    methyl butyrate 8845.52

    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