Isoamyl decanoate

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  • Identifiers

    CAS number
    2306-91-4

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCC(=O)OCCC(C)C

  • Odor profile

    Fruity 78.15%
    Oily 76.33%
    Winey 68.31%
    Fatty 63.11%
    Cognac 59.38%
    Waxy 55.62%
    Floral 47.15%
    Green 45.22%
    Fermented 44.79%
    Sweet 43.13%

    Scent© AI

  • Properties

    XLogP3-AA
    5.9

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 286.00 to 287.00 °C. @ 760.00 mm Hg

    Flash point est.
    118.54 ˚C

  • Synonyms

    • Isoamyl decanoate
    • 2306-91-4
    • 3-Methylbutyl decanoate
    • Isopentyl decanoate
    • Decanoic acid, 3-methylbutyl ester
    • n-Capric acid isoamyl ester
    • isoamyl caprate
    • iso-Amyl n-decanoate
    • Isoamyl decanoate (natural)
    • Pentadecanoic acid, 3-methylbutyl ester
    • UNII-Z10YO60833
    • ISOPENTYL CAPRATE
    • EINECS 218-982-6
    • Z10YO60833
    • DTXSID7062320
    • ISOPENTYL ALCOHOL, DECANOATE
    • DECANOIC ACID, ISOPENTYL ESTER
    • 3-Methylbuthyl ester of pentadecanoic acid
    • Decanoic Acid Isoamyl Ester
    • Isopentyldecanoate
    • MFCD00053822
    • Isopentyl decanoate #
    • SCHEMBL334155
    • Isopentyl decanoate, AldrichCPR
    • CHEMBL4633592
    • DTXCID4036801
    • CHEBI:172090
    • LMFA07010758
    • AKOS028108498
    • 3-Methylbuthyl ester pentadecanoic acid
    • HY-W127421
    • BS-22073
    • CS-0185655
    • D0019
    • NS00020400
    • D89578
    • Q27294849

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9865.95
    methanol 7757.65
    isopropanol 10653.29
    water 0.08
    ethyl acetate 12815.46
    n-propanol 8402.53
    acetone 18325.65
    n-butanol 7859.15
    acetonitrile 7269.74
    DMF 7727.92
    toluene 3459.68
    isobutanol 6916.35
    1,4-dioxane 10152.56
    methyl acetate 7058.07
    THF 16248.94
    2-butanone 11894.9
    n-pentanol 4818.8
    sec-butanol 8218.44
    n-hexane 2840.71
    ethylene glycol 256.42
    NMP 6283.09
    cyclohexane 4800.83
    DMSO 8680.43
    n-butyl acetate 9565.07
    n-octanol 2088.42
    chloroform 13848.27
    n-propyl acetate 8630.27
    acetic acid 4566.96
    dichloromethane 13962.49
    cyclohexanone 18173.57
    propylene glycol 871.75
    isopropyl acetate 8774.91
    DMAc 5372.23
    2-ethoxyethanol 4250.83
    isopentanol 7491.93
    n-heptane 1092.32
    ethyl formate 4722.64
    1,2-dichloroethane 11235.19
    n-hexanol 4406.42
    2-methoxyethanol 6608.57
    isobutyl acetate 4569.72
    tetrachloromethane 2540.6
    n-pentyl acetate 5526.58
    transcutol 13361.15
    n-heptanol 1956.15
    ethylbenzene 2003.09
    MIBK 6309.26
    2-propoxyethanol 4882.92
    tert-butanol 10451.11
    MTBE 12530.6
    2-butoxyethanol 3196.64
    propionic acid 4260.62
    o-xylene 2022.78
    formic acid 548.52
    diethyl ether 13163.48
    m-xylene 2163.76
    p-xylene 2863.53
    chlorobenzene 4896.41
    dimethyl carbonate 1104.64
    n-octane 391.15
    formamide 1162.09
    cyclopentanone 12326.92
    2-pentanone 12262.43
    anisole 3064.77
    cyclopentyl methyl ether 9446.41
    gamma-butyrolactone 10006.7
    1-methoxy-2-propanol 5850.18
    pyridine 9545.5
    3-pentanone 6366.21
    furfural 6028.04
    n-dodecane 186.51
    diethylene glycol 1792.84
    diisopropyl ether 3867.73
    tert-amyl alcohol 8281.26
    acetylacetone 8372.35
    n-hexadecane 231.32
    acetophenone 2937.62
    methyl propionate 5782.45
    isopentyl acetate 8110.18
    trichloroethylene 16184.99
    n-nonanol 1728.15
    cyclohexanol 8742.97
    benzyl alcohol 2203.72
    2-ethylhexanol 3227.89
    isooctanol 1777.03
    dipropyl ether 5615.43
    1,2-dichlorobenzene 4005.26
    ethyl lactate 1660.19
    propylene carbonate 5801.09
    n-methylformamide 3522.15
    2-pentanol 6452.5
    n-pentane 1693.92
    1-propoxy-2-propanol 5021.98
    1-methoxy-2-propyl acetate 5324.12
    2-(2-methoxypropoxy) propanol 2200.36
    mesitylene 1415.7
    ε-caprolactone 11907.63
    p-cymene 1205.11
    epichlorohydrin 11469.02
    1,1,1-trichloroethane 11089.84
    2-aminoethanol 1274.39
    morpholine-4-carbaldehyde 6140.07
    sulfolane 9036.42
    2,2,4-trimethylpentane 627.89
    2-methyltetrahydrofuran 16178.31
    n-hexyl acetate 6361.88
    isooctane 507.61
    2-(2-butoxyethoxy)ethanol 3412.9
    sec-butyl acetate 6016.07
    tert-butyl acetate 7728.87
    decalin 1160.36
    glycerin 775.93
    diglyme 7073.59
    acrylic acid 2097.61
    isopropyl myristate 1735.28
    n-butyric acid 10045.61
    acetyl acetate 5190.7
    di(2-ethylhexyl) phthalate 1122.94
    ethyl propionate 6268.89
    nitromethane 8189.34
    1,2-diethoxyethane 7607.82
    benzonitrile 4061.26
    trioctyl phosphate 888.39
    1-bromopropane 9260.28
    gamma-valerolactone 13963.8
    n-decanol 1082.78
    triethyl phosphate 1376.86
    4-methyl-2-pentanol 3216.1
    propionitrile 5846.85
    vinylene carbonate 4225.08
    1,1,2-trichlorotrifluoroethane 5097.1
    DMS 2595.45
    cumene 1214.05
    2-octanol 1780.1
    2-hexanone 8277.22
    octyl acetate 2044.44
    limonene 2608.88
    1,2-dimethoxyethane 9636.91
    ethyl orthosilicate 1491.41
    tributyl phosphate 1307.83
    diacetone alcohol 5485.75
    N,N-dimethylaniline 1846.29
    acrylonitrile 4803.78
    aniline 3631.31
    1,3-propanediol 3106.4
    bromobenzene 5565.78
    dibromomethane 10779.63
    1,1,2,2-tetrachloroethane 13489.56
    2-methyl-cyclohexyl acetate 3128.66
    tetrabutyl urea 1631.56
    diisobutyl methanol 1864.45
    2-phenylethanol 2215.35
    styrene 2664.81
    dioctyl adipate 2231.77
    dimethyl sulfate 1524.46
    ethyl butyrate 6132.71
    methyl lactate 1473.86
    butyl lactate 2776.65
    diethyl carbonate 2635.85
    propanediol butyl ether 2427.1
    triethyl orthoformate 3245.11
    p-tert-butyltoluene 1131.66
    methyl 4-tert-butylbenzoate 2210.39
    morpholine 15246.58
    tert-butylamine 7292.83
    n-dodecanol 762.06
    dimethoxymethane 5111.56
    ethylene carbonate 4745.34
    cyrene 1562.52
    2-ethoxyethyl acetate 4987.68
    2-ethylhexyl acetate 5902.46
    1,2,4-trichlorobenzene 4193.99
    4-methylpyridine 9329.25
    dibutyl ether 5679.78
    2,6-dimethyl-4-heptanol 1864.45
    DEF 9321.5
    dimethyl isosorbide 3546.23
    tetrachloroethylene 8225.18
    eugenol 1839.71
    triacetin 3465.23
    span 80 2428.59
    1,4-butanediol 1014.23
    1,1-dichloroethane 13072.31
    2-methyl-1-pentanol 4237.17
    methyl formate 2061.83
    2-methyl-1-butanol 6136.32
    n-decane 445.29
    butyronitrile 8927.08
    3,7-dimethyl-1-octanol 2276.48
    1-chlorooctane 2059.11
    1-chlorotetradecane 576.73
    n-nonane 504.04
    undecane 267.08
    tert-butylcyclohexane 917.4
    cyclooctane 983.42
    cyclopentanol 7330.91
    tetrahydropyran 20449.11
    tert-amyl methyl ether 6630.38
    2,5,8-trioxanonane 3485.88
    1-hexene 7450.65
    2-isopropoxyethanol 3450.27
    2,2,2-trifluoroethanol 968.02
    methyl butyrate 9402.79

    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