Isobutyl nonanoate

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  • Identifiers

    CAS number
    30982-03-7

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCC(=O)OCC(C)C

  • Odor profile

    Fragrance
    Fruity 85.91%
    Oily 75.25%
    Winey 72.04%
    Fatty 64.47%
    Cognac 60.47%
    Green 52.87%
    Waxy 50.44%
    Fermented 46.1%
    Sweet 44.59%
    Herbal 42.31%

     

    Flavor
    Fruity 73.67%
    Green 65.39%
    Waxy 55.84%
    Sweet 49.82%
    Oily 45.74%
    Floral 41.93%
    Tropical 41.27%
    Apple 40.67%
    Herbal 39.64%
    Soapy 37.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.08 (weak base)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    253°C

    Flash point

    • 105.08 ˚C est.

  • Synonyms

    • Isobutyl nonanoate
    • Isobutyl pelargonate
    • 30982-03-7
    • Isobutyl nonoate
    • Nonanoic acid, isobutyl ester
    • 2-methylpropyl nonanoate
    • UNII-8J1S30GF9R
    • 8J1S30GF9R
    • Nonanoic acid, 2-methylpropyl ester
    • EINECS 250-411-6
    • AI3-33733
    • AEC ISOBUTYL PELARGONATE
    • DTXSID2067583
    • NONANOIC ACID, 2-METHYPROPYL ESTER
    • ISO-BUTYL-NONANOATE
    • Isobutyl nonan-1-oate
    • SCHEMBL2397946
    • DTXCID7038282
    • ISOBUTYL PELARGONATE [INCI]
    • NS00013769
    • Q27270609
    • 250-411-6

  • Applications

    Isobutyl nonanoate (CAS 30982-03-7) is commonly used as a fragrance ingredient and potential fixative in perfumery, contributing fruity, lingering notes. It is also employed in cosmetic and personal care formulations as a scent component. In flavor applications, it may serve as an aroma constituent in certain formulations. In household products, it can provide fragrance for cleaners and air fresheners. In industrial manufacturing, it may act as a solvent or processing aid in coatings, inks, and adhesives. In polymers and plastics, it can function as a plasticizer or processing aid to influence texture and flexibility.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6775.81
    methanol 5777.1
    isopropanol 6977.94
    water 0.11
    ethyl acetate 7758.92
    n-propanol 5455.16
    acetone 9535.48
    n-butanol 5494.6
    acetonitrile 5188.76
    DMF 5184.62
    toluene 2476.46
    isobutanol 4841.39
    1,4-dioxane 5804.82
    methyl acetate 4590.22
    THF 8375.82
    2-butanone 6936.23
    n-pentanol 3859.59
    sec-butanol 5965.49
    n-hexane 2120.14
    ethylene glycol 270.19
    NMP 3319.27
    cyclohexane 2323.64
    DMSO 4755.4
    n-butyl acetate 7395.48
    n-octanol 1903.51
    chloroform 9581.77
    n-propyl acetate 5528.24
    acetic acid 2900.35
    dichloromethane 8604.36
    cyclohexanone 9200.59
    propylene glycol 751.7
    isopropyl acetate 5526.23
    DMAc 3648.64
    2-ethoxyethanol 3207.71
    isopentanol 5528.33
    n-heptane 802.09
    ethyl formate 3399.51
    1,2-dichloroethane 6381.21
    n-hexanol 4330.83
    2-methoxyethanol 4372.76
    isobutyl acetate 3320.86
    tetrachloromethane 1797.63
    n-pentyl acetate 3782.29
    transcutol 8902.0
    n-heptanol 1753.96
    ethylbenzene 1626.87
    MIBK 4039.88
    2-propoxyethanol 4346.53
    tert-butanol 7462.54
    MTBE 8877.24
    2-butoxyethanol 2582.01
    propionic acid 2696.16
    o-xylene 1552.76
    formic acid 447.09
    diethyl ether 7444.21
    m-xylene 1656.48
    p-xylene 2267.79
    chlorobenzene 3219.61
    dimethyl carbonate 775.49
    n-octane 340.83
    formamide 727.97
    cyclopentanone 6419.17
    2-pentanone 6989.83
    anisole 2394.33
    cyclopentyl methyl ether 5074.93
    gamma-butyrolactone 5187.46
    1-methoxy-2-propanol 3935.7
    pyridine 5638.12
    3-pentanone 3560.46
    furfural 4008.84
    n-dodecane 180.57
    diethylene glycol 1657.0
    diisopropyl ether 2445.74
    tert-amyl alcohol 6334.61
    acetylacetone 5034.77
    n-hexadecane 218.94
    acetophenone 2237.29
    methyl propionate 3432.66
    isopentyl acetate 6445.94
    trichloroethylene 9810.28
    n-nonanol 1501.97
    cyclohexanol 5222.05
    benzyl alcohol 1825.36
    2-ethylhexanol 2938.68
    isooctanol 1615.91
    dipropyl ether 3849.04
    1,2-dichlorobenzene 2769.15
    ethyl lactate 1157.14
    propylene carbonate 3446.5
    n-methylformamide 2296.25
    2-pentanol 4904.85
    n-pentane 1164.01
    1-propoxy-2-propanol 4139.91
    1-methoxy-2-propyl acetate 3668.59
    2-(2-methoxypropoxy) propanol 1848.44
    mesitylene 1091.8
    ε-caprolactone 6563.16
    p-cymene 1017.55
    epichlorohydrin 6708.39
    1,1,1-trichloroethane 6835.0
    2-aminoethanol 1073.7
    morpholine-4-carbaldehyde 3682.18
    sulfolane 4687.08
    2,2,4-trimethylpentane 501.6
    2-methyltetrahydrofuran 7955.33
    n-hexyl acetate 4392.0
    isooctane 427.99
    2-(2-butoxyethoxy)ethanol 2640.14
    sec-butyl acetate 3935.82
    tert-butyl acetate 4694.55
    decalin 819.74
    glycerin 699.29
    diglyme 5035.54
    acrylic acid 1524.76
    isopropyl myristate 1318.65
    n-butyric acid 6461.52
    acetyl acetate 3116.35
    di(2-ethylhexyl) phthalate 913.28
    ethyl propionate 3910.53
    nitromethane 4455.34
    1,2-diethoxyethane 4933.9
    benzonitrile 3320.22
    trioctyl phosphate 732.99
    1-bromopropane 5566.41
    gamma-valerolactone 7357.83
    n-decanol 960.38
    triethyl phosphate 1000.67
    4-methyl-2-pentanol 2519.96
    propionitrile 4559.8
    vinylene carbonate 2730.5
    1,1,2-trichlorotrifluoroethane 3521.37
    DMS 1822.43
    cumene 1091.82
    2-octanol 1539.67
    2-hexanone 5452.36
    octyl acetate 1530.16
    limonene 1901.24
    1,2-dimethoxyethane 6818.26
    ethyl orthosilicate 1094.67
    tributyl phosphate 1031.79
    diacetone alcohol 3469.17
    N,N-dimethylaniline 1517.52
    acrylonitrile 3862.65
    aniline 2364.75
    1,3-propanediol 2244.28
    bromobenzene 3708.96
    dibromomethane 6738.12
    1,1,2,2-tetrachloroethane 8416.73
    2-methyl-cyclohexyl acetate 2271.95
    tetrabutyl urea 1202.58
    diisobutyl methanol 1571.48
    2-phenylethanol 1927.1
    styrene 2101.34
    dioctyl adipate 1635.48
    dimethyl sulfate 1008.67
    ethyl butyrate 4031.94
    methyl lactate 1024.62
    butyl lactate 2083.55
    diethyl carbonate 1895.81
    propanediol butyl ether 2095.55
    triethyl orthoformate 2128.32
    p-tert-butyltoluene 952.45
    methyl 4-tert-butylbenzoate 1669.21
    morpholine 8148.99
    tert-butylamine 5011.52
    n-dodecanol 691.14
    dimethoxymethane 3168.04
    ethylene carbonate 2827.42
    cyrene 1255.96
    2-ethoxyethyl acetate 3274.89
    2-ethylhexyl acetate 4641.12
    1,2,4-trichlorobenzene 2868.33
    4-methylpyridine 6085.29
    dibutyl ether 3745.49
    2,6-dimethyl-4-heptanol 1571.48
    DEF 5503.06
    dimethyl isosorbide 2575.79
    tetrachloroethylene 5240.13
    eugenol 1554.33
    triacetin 2315.33
    span 80 1891.83
    1,4-butanediol 986.36
    1,1-dichloroethane 8159.26
    2-methyl-1-pentanol 3674.5
    methyl formate 1453.22
    2-methyl-1-butanol 4652.08
    n-decane 392.9
    butyronitrile 6492.13
    3,7-dimethyl-1-octanol 2050.01
    1-chlorooctane 1606.04
    1-chlorotetradecane 485.44
    n-nonane 448.13
    undecane 249.54
    tert-butylcyclohexane 749.86
    cyclooctane 587.72
    cyclopentanol 4180.42
    tetrahydropyran 10175.89
    tert-amyl methyl ether 4911.26
    2,5,8-trioxanonane 2724.35
    1-hexene 5623.72
    2-isopropoxyethanol 2764.72
    2,2,2-trifluoroethanol 623.85
    methyl butyrate 6099.4

    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