3,7-Dimethyloctyl isobutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    71662-25-4

    Molecular formula
    C14H28O2

    SMILES
    CC(C)CCCC(C)CCOC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 80.34%
    Fruity 76.3%
    Rose 63.18%
    Sweet 60.0%
    Herbal 57.07%
    Green 44.02%
    Waxy 43.27%
    Woody 42.85%
    Fresh 42.57%
    Citrus 40.85%

     

    Flavor
    Fruity 52.31%
    Green 49.71%
    Floral 45.85%
    Waxy 44.32%
    Oily 39.93%
    Tropical 36.85%
    Soapy 26.37%
    Rose 26.28%
    Geranium 26.0%
    Citrus 25.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.16 (weak base)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 105.58 ˚C est.

  • Synonyms

    • 3,7-Dimethyloctyl isobutyrate
    • 71662-25-4
    • EINECS 275-791-0
    • 3,7-dimethyloctyl 2-methylpropanoate
    • SCHEMBL26246047
    • DTXSID30992247
    • ZQSQUDUOKZGSMF-UHFFFAOYSA-N
    • NS00063054
    • 71662-25-4

  • Applications

    3,7-Dimethyloctyl isobutyrate is commonly used as a fragrance ingredient and solvent, serving as an odorant and solvent for formulation components in perfumery and cosmetics/personal care; it is also evaluated as a solvent for household products, and may act as a plasticizer or processing aid in polymer formulations; in coatings and inks, it can function as a processing solvent or formulation aid to improve film formation and material compatibility in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7880.66
    methanol 5940.17
    isopropanol 7332.1
    water 0.37
    ethyl acetate 8725.73
    n-propanol 6325.79
    acetone 7681.73
    n-butanol 6326.08
    acetonitrile 5115.6
    DMF 3125.73
    toluene 2276.79
    isobutanol 5145.85
    1,4-dioxane 7338.29
    methyl acetate 4524.16
    THF 8821.62
    2-butanone 6375.5
    n-pentanol 4319.65
    sec-butanol 6927.79
    n-hexane 2733.15
    ethylene glycol 199.54
    NMP 2592.57
    cyclohexane 2896.91
    DMSO 2651.06
    n-butyl acetate 7701.03
    n-octanol 2068.49
    chloroform 9267.25
    n-propyl acetate 5732.98
    acetic acid 3564.57
    dichloromethane 7585.75
    cyclohexanone 8081.47
    propylene glycol 633.84
    isopropyl acetate 6288.49
    DMAc 2763.21
    2-ethoxyethanol 3764.19
    isopentanol 6218.71
    n-heptane 959.15
    ethyl formate 3499.5
    1,2-dichloroethane 5377.94
    n-hexanol 4937.63
    2-methoxyethanol 4832.7
    isobutyl acetate 3442.54
    tetrachloromethane 2202.17
    n-pentyl acetate 4009.01
    transcutol 10012.95
    n-heptanol 2140.27
    ethylbenzene 1716.45
    MIBK 4045.32
    2-propoxyethanol 4813.68
    tert-butanol 8850.37
    MTBE 11101.96
    2-butoxyethanol 2935.38
    propionic acid 2605.26
    o-xylene 1547.01
    formic acid 532.09
    diethyl ether 9553.63
    m-xylene 1658.61
    p-xylene 2566.7
    chlorobenzene 2881.27
    dimethyl carbonate 638.88
    n-octane 375.09
    formamide 785.66
    cyclopentanone 5013.66
    2-pentanone 6610.81
    anisole 2413.99
    cyclopentyl methyl ether 5425.44
    gamma-butyrolactone 4602.77
    1-methoxy-2-propanol 3927.03
    pyridine 4709.65
    3-pentanone 3561.42
    furfural 3375.08
    n-dodecane 181.92
    diethylene glycol 1626.43
    diisopropyl ether 3342.49
    tert-amyl alcohol 7692.93
    acetylacetone 4690.02
    n-hexadecane 218.99
    acetophenone 2040.56
    methyl propionate 3379.94
    isopentyl acetate 6951.11
    trichloroethylene 8430.03
    n-nonanol 1681.14
    cyclohexanol 5348.37
    benzyl alcohol 1687.82
    2-ethylhexanol 3340.52
    isooctanol 1920.74
    dipropyl ether 4396.87
    1,2-dichlorobenzene 2413.15
    ethyl lactate 1103.82
    propylene carbonate 3198.66
    n-methylformamide 1777.57
    2-pentanol 5471.98
    n-pentane 1457.03
    1-propoxy-2-propanol 4459.77
    1-methoxy-2-propyl acetate 4044.27
    2-(2-methoxypropoxy) propanol 1859.8
    mesitylene 1170.56
    ε-caprolactone 6778.62
    p-cymene 1086.33
    epichlorohydrin 6159.62
    1,1,1-trichloroethane 7126.39
    2-aminoethanol 954.98
    morpholine-4-carbaldehyde 3639.64
    sulfolane 3412.8
    2,2,4-trimethylpentane 726.55
    2-methyltetrahydrofuran 9316.12
    n-hexyl acetate 4723.63
    isooctane 598.0
    2-(2-butoxyethoxy)ethanol 2935.61
    sec-butyl acetate 4607.81
    tert-butyl acetate 5529.83
    decalin 976.56
    glycerin 589.1
    diglyme 5436.8
    acrylic acid 1321.85
    isopropyl myristate 1316.48
    n-butyric acid 6926.09
    acetyl acetate 3565.26
    di(2-ethylhexyl) phthalate 907.47
    ethyl propionate 4048.14
    nitromethane 4392.75
    1,2-diethoxyethane 5938.31
    benzonitrile 2779.34
    trioctyl phosphate 756.77
    1-bromopropane 5294.77
    gamma-valerolactone 6956.17
    n-decanol 1087.26
    triethyl phosphate 1036.59
    4-methyl-2-pentanol 2968.18
    propionitrile 4302.82
    vinylene carbonate 2451.59
    1,1,2-trichlorotrifluoroethane 3050.14
    DMS 1742.33
    cumene 1177.05
    2-octanol 1900.95
    2-hexanone 5119.47
    octyl acetate 1548.57
    limonene 2025.68
    1,2-dimethoxyethane 6914.73
    ethyl orthosilicate 1236.26
    tributyl phosphate 1015.95
    diacetone alcohol 3763.48
    N,N-dimethylaniline 1471.94
    acrylonitrile 3020.39
    aniline 2231.93
    1,3-propanediol 2310.98
    bromobenzene 3169.05
    dibromomethane 6083.88
    1,1,2,2-tetrachloroethane 7519.39
    2-methyl-cyclohexyl acetate 2506.1
    tetrabutyl urea 1101.34
    diisobutyl methanol 1734.46
    2-phenylethanol 1920.17
    styrene 1992.96
    dioctyl adipate 1553.47
    dimethyl sulfate 779.71
    ethyl butyrate 4480.6
    methyl lactate 861.42
    butyl lactate 1968.33
    diethyl carbonate 2107.07
    propanediol butyl ether 2013.68
    triethyl orthoformate 2589.18
    p-tert-butyltoluene 1011.99
    methyl 4-tert-butylbenzoate 1608.52
    morpholine 9637.47
    tert-butylamine 6484.58
    n-dodecanol 759.09
    dimethoxymethane 2699.7
    ethylene carbonate 2702.1
    cyrene 1239.22
    2-ethoxyethyl acetate 3551.27
    2-ethylhexyl acetate 5125.9
    1,2,4-trichlorobenzene 2624.98
    4-methylpyridine 5451.34
    dibutyl ether 4034.62
    2,6-dimethyl-4-heptanol 1734.46
    DEF 5165.88
    dimethyl isosorbide 2714.67
    tetrachloroethylene 4967.38
    eugenol 1426.61
    triacetin 2218.91
    span 80 1883.04
    1,4-butanediol 965.83
    1,1-dichloroethane 7443.04
    2-methyl-1-pentanol 4196.39
    methyl formate 1135.21
    2-methyl-1-butanol 5334.71
    n-decane 426.8
    butyronitrile 6804.0
    3,7-dimethyl-1-octanol 2267.91
    1-chlorooctane 1685.77
    1-chlorotetradecane 494.51
    n-nonane 469.77
    undecane 262.79
    tert-butylcyclohexane 944.24
    cyclooctane 750.28
    cyclopentanol 3975.58
    tetrahydropyran 11818.47
    tert-amyl methyl ether 6043.58
    2,5,8-trioxanonane 2664.89
    1-hexene 5976.09
    2-isopropoxyethanol 3122.76
    2,2,2-trifluoroethanol 726.36
    methyl butyrate 6037.01

    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