Isobutyl decanoate

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  • Identifiers

    CAS number
    30673-38-2

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCC(=O)OCC(C)C

  • Odor profile

    Fruity 77.49%
    Oily 75.89%
    Fatty 68.17%
    Winey 67.31%
    Cognac 58.54%
    Waxy 53.87%
    Fermented 45.61%
    Brandy 41.24%
    Sweet 41.21%
    Floral 39.67%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.88 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point est.
    112.66 ˚C

  • Synonyms

    • Isobutyl decanoate
    • 30673-38-2
    • 2-methylpropyl decanoate
    • Decanoic acid, 2-methylpropyl ester
    • n-Capric acid isobutyl ester
    • isobutyl caprate
    • Decanoic acid, isobutyl ester
    • UNII-ZYU8S7C4T7
    • ZYU8S7C4T7
    • ISOBUTYLDECANOATE
    • EINECS 250-281-0
    • AI3-33574
    • DTXSID9067566
    • CHEBI:87570
    • Decanoic Acid Isobutyl Ester
    • SCHEMBL333509
    • Isobutyl decanoate, AldrichCPR
    • DTXCID8038229
    • decanoic acid 2-methyl-propyl ester
    • MFCD00059259
    • AKOS030573875
    • HY-W099618
    • BS-49082
    • DB-003690
    • CS-0152260
    • D0021
    • NS00022029
    • D89580
    • Q27159738
    • 250-281-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7031.2
    methanol 5688.06
    isopropanol 7775.06
    water 0.09
    ethyl acetate 8978.65
    n-propanol 6025.92
    acetone 11236.15
    n-butanol 6026.15
    acetonitrile 5545.45
    DMF 5865.21
    toluene 2786.96
    isobutanol 5296.22
    1,4-dioxane 6550.03
    methyl acetate 5274.82
    THF 9466.66
    2-butanone 8043.12
    n-pentanol 4121.18
    sec-butanol 6521.49
    n-hexane 2365.04
    ethylene glycol 231.84
    NMP 3814.67
    cyclohexane 2872.31
    DMSO 5241.73
    n-butyl acetate 8386.79
    n-octanol 2025.54
    chloroform 10364.45
    n-propyl acetate 6715.04
    acetic acid 2968.9
    dichloromethane 9489.65
    cyclohexanone 10888.53
    propylene glycol 703.83
    isopropyl acetate 6523.1
    DMAc 4218.99
    2-ethoxyethanol 3552.75
    isopentanol 6055.74
    n-heptane 932.59
    ethyl formate 3793.47
    1,2-dichloroethane 7261.23
    n-hexanol 4323.11
    2-methoxyethanol 4802.97
    isobutyl acetate 3970.09
    tetrachloromethane 2039.84
    n-pentyl acetate 4618.96
    transcutol 9582.51
    n-heptanol 1916.29
    ethylbenzene 1804.68
    MIBK 4773.36
    2-propoxyethanol 4536.73
    tert-butanol 8371.81
    MTBE 10434.11
    2-butoxyethanol 2886.18
    propionic acid 2888.13
    o-xylene 1736.88
    formic acid 414.91
    diethyl ether 8777.97
    m-xylene 1836.45
    p-xylene 2562.8
    chlorobenzene 3549.6
    dimethyl carbonate 863.21
    n-octane 391.44
    formamide 720.86
    cyclopentanone 7421.59
    2-pentanone 8316.75
    anisole 2655.38
    cyclopentyl methyl ether 5911.38
    gamma-butyrolactone 5945.89
    1-methoxy-2-propanol 4333.13
    pyridine 6332.13
    3-pentanone 4230.57
    furfural 4406.48
    n-dodecane 195.24
    diethylene glycol 1610.73
    diisopropyl ether 2867.27
    tert-amyl alcohol 6961.06
    acetylacetone 5906.67
    n-hexadecane 238.28
    acetophenone 2533.96
    methyl propionate 3975.92
    isopentyl acetate 7334.59
    trichloroethylene 10890.91
    n-nonanol 1616.67
    cyclohexanol 5966.08
    benzyl alcohol 1939.01
    2-ethylhexanol 3120.43
    isooctanol 1792.68
    dipropyl ether 4571.48
    1,2-dichlorobenzene 3100.45
    ethyl lactate 1334.8
    propylene carbonate 3958.56
    n-methylformamide 2567.16
    2-pentanol 5283.14
    n-pentane 1305.56
    1-propoxy-2-propanol 4467.97
    1-methoxy-2-propyl acetate 4106.16
    2-(2-methoxypropoxy) propanol 1936.62
    mesitylene 1208.84
    ε-caprolactone 7749.05
    p-cymene 1125.97
    epichlorohydrin 7561.22
    1,1,1-trichloroethane 7894.21
    2-aminoethanol 1006.45
    morpholine-4-carbaldehyde 4221.84
    sulfolane 5352.74
    2,2,4-trimethylpentane 553.32
    2-methyltetrahydrofuran 9223.87
    n-hexyl acetate 5105.87
    isooctane 465.3
    2-(2-butoxyethoxy)ethanol 2762.43
    sec-butyl acetate 4825.09
    tert-butyl acetate 5616.23
    decalin 922.9
    glycerin 661.79
    diglyme 5637.17
    acrylic acid 1541.06
    isopropyl myristate 1489.19
    n-butyric acid 7170.48
    acetyl acetate 3582.24
    di(2-ethylhexyl) phthalate 987.05
    ethyl propionate 4727.19
    nitromethane 5089.6
    1,2-diethoxyethane 5627.61
    benzonitrile 3608.4
    trioctyl phosphate 803.72
    1-bromopropane 6341.1
    gamma-valerolactone 8675.11
    n-decanol 1029.12
    triethyl phosphate 1126.11
    4-methyl-2-pentanol 2762.26
    propionitrile 4997.74
    vinylene carbonate 3042.4
    1,1,2-trichlorotrifluoroethane 3827.04
    DMS 2033.74
    cumene 1202.61
    2-octanol 1706.74
    2-hexanone 6407.21
    octyl acetate 1717.24
    limonene 2146.97
    1,2-dimethoxyethane 7933.99
    ethyl orthosilicate 1235.02
    tributyl phosphate 1134.75
    diacetone alcohol 4048.26
    N,N-dimethylaniline 1687.32
    acrylonitrile 4140.27
    aniline 2609.81
    1,3-propanediol 2305.85
    bromobenzene 4095.44
    dibromomethane 7462.09
    1,1,2,2-tetrachloroethane 9542.96
    2-methyl-cyclohexyl acetate 2559.72
    tetrabutyl urea 1349.44
    diisobutyl methanol 1729.76
    2-phenylethanol 1980.72
    styrene 2334.33
    dioctyl adipate 1835.08
    dimethyl sulfate 1116.8
    ethyl butyrate 4836.29
    methyl lactate 1114.6
    butyl lactate 2381.83
    diethyl carbonate 2171.34
    propanediol butyl ether 2205.53
    triethyl orthoformate 2528.32
    p-tert-butyltoluene 1038.01
    methyl 4-tert-butylbenzoate 1862.59
    morpholine 9345.82
    tert-butylamine 5573.27
    n-dodecanol 730.79
    dimethoxymethane 3634.42
    ethylene carbonate 3270.45
    cyrene 1345.4
    2-ethoxyethyl acetate 3867.29
    2-ethylhexyl acetate 5269.46
    1,2,4-trichlorobenzene 3174.9
    4-methylpyridine 6814.59
    dibutyl ether 4398.78
    2,6-dimethyl-4-heptanol 1729.76
    DEF 6503.09
    dimethyl isosorbide 2791.81
    tetrachloroethylene 5921.33
    eugenol 1679.93
    triacetin 2645.88
    span 80 1997.08
    1,4-butanediol 974.66
    1,1-dichloroethane 9247.57
    2-methyl-1-pentanol 3854.4
    methyl formate 1589.59
    2-methyl-1-butanol 5045.05
    n-decane 445.58
    butyronitrile 7190.33
    3,7-dimethyl-1-octanol 2196.39
    1-chlorooctane 1824.65
    1-chlorotetradecane 530.63
    n-nonane 505.87
    undecane 274.38
    tert-butylcyclohexane 828.3
    cyclooctane 698.95
    cyclopentanol 4790.87
    tetrahydropyran 12018.76
    tert-amyl methyl ether 5589.2
    2,5,8-trioxanonane 2947.07
    1-hexene 6255.25
    2-isopropoxyethanol 3092.26
    2,2,2-trifluoroethanol 651.21
    methyl butyrate 7323.34

    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
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.2%