3,7-Dimethyloctyl isovalerate

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  • Identifiers

    CAS number
    71662-26-5

    Molecular formula
    C15H30O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.5%
    Floral 74.98%
    Herbal 67.14%
    Rose 58.85%
    Sweet 47.01%
    Woody 44.51%
    Oily 39.69%
    Apple 37.39%
    Green 37.33%
    Fresh 34.86%

     

    Flavor
    Green 48.26%
    Fruity 46.47%
    Oily 40.93%
    Waxy 38.47%
    Floral 38.05%
    Tropical 33.45%
    Mild 27.74%
    Herbal 27.41%
    Soapy 26.89%
    Bitter 25.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.58 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    269°C

    Flash point

    • 110.5 ˚C est.

  • Synonyms

    • 3,7-Dimethyloctyl isovalerate
    • 71662-26-5
    • EINECS 275-792-6
    • 3,7-dimethyloctyl 3-methylbutanoate
    • DTXSID90992248
    • SJACRECVLUMNHU-UHFFFAOYSA-N
    • NS00063285
    • 71662-26-5

  • Applications

    3,7-Dimethyloctyl isovalerate is used primarily in the fragrance and personal care industry as a fragrance ingredient and fixative, and it also serves as a solvent/diluent for aroma compounds in formulations. It is applied to household products and cleaning agents as a fragrance component and a light solvent to dissolve and disperse aroma materials. In the industrial manufacturing and plastics sector, it can function as a plasticizer or processing aid for material systems. In coatings and inks, it may serve as a solvent component or fragrance additive. These applications depend on formulation requirements and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5597.65
    methanol 4469.36
    isopropanol 5914.32
    water 0.37
    ethyl acetate 4459.39
    n-propanol 4454.11
    acetone 6037.62
    n-butanol 4267.29
    acetonitrile 2926.99
    DMF 2748.17
    toluene 1483.04
    isobutanol 3628.93
    1,4-dioxane 5411.51
    methyl acetate 2595.5
    THF 8331.38
    2-butanone 4059.6
    n-pentanol 2727.97
    sec-butanol 4528.97
    n-hexane 1642.17
    ethylene glycol 218.24
    NMP 2708.29
    cyclohexane 2487.62
    DMSO 3041.31
    n-butyl acetate 4154.98
    n-octanol 1591.66
    chloroform 7456.35
    n-propyl acetate 2948.39
    acetic acid 3192.45
    dichloromethane 5861.24
    cyclohexanone 7469.96
    propylene glycol 783.92
    isopropyl acetate 3113.14
    DMAc 2098.86
    2-ethoxyethanol 1982.26
    isopentanol 3881.09
    n-heptane 816.65
    ethyl formate 2019.7
    1,2-dichloroethane 3954.07
    n-hexanol 3364.52
    2-methoxyethanol 3263.77
    isobutyl acetate 1923.83
    tetrachloromethane 1375.63
    n-pentyl acetate 2410.31
    transcutol 6421.27
    n-heptanol 1458.95
    ethylbenzene 993.94
    MIBK 2392.06
    2-propoxyethanol 3097.38
    tert-butanol 6111.9
    MTBE 5225.37
    2-butoxyethanol 1926.89
    propionic acid 2261.19
    o-xylene 976.54
    formic acid 447.13
    diethyl ether 4623.86
    m-xylene 1088.67
    p-xylene 1531.89
    chlorobenzene 2264.65
    dimethyl carbonate 474.81
    n-octane 282.83
    formamide 572.39
    cyclopentanone 5085.04
    2-pentanone 4013.56
    anisole 1475.64
    cyclopentyl methyl ether 3970.66
    gamma-butyrolactone 4533.97
    1-methoxy-2-propanol 2972.81
    pyridine 3590.16
    3-pentanone 2223.11
    furfural 2978.16
    n-dodecane 153.99
    diethylene glycol 1174.07
    diisopropyl ether 1688.51
    tert-amyl alcohol 4594.24
    acetylacetone 3199.95
    n-hexadecane 184.76
    acetophenone 1366.65
    methyl propionate 2036.3
    isopentyl acetate 3707.83
    trichloroethylene 6521.82
    n-nonanol 1295.24
    cyclohexanol 4703.83
    benzyl alcohol 1184.89
    2-ethylhexanol 2153.43
    isooctanol 1231.77
    dipropyl ether 2705.58
    1,2-dichlorobenzene 1868.8
    ethyl lactate 807.24
    propylene carbonate 2948.26
    n-methylformamide 1375.84
    2-pentanol 3493.32
    n-pentane 943.26
    1-propoxy-2-propanol 2961.08
    1-methoxy-2-propyl acetate 2439.21
    2-(2-methoxypropoxy) propanol 1393.02
    mesitylene 835.92
    ε-caprolactone 5163.89
    p-cymene 761.43
    epichlorohydrin 4889.18
    1,1,1-trichloroethane 4851.87
    2-aminoethanol 889.4
    morpholine-4-carbaldehyde 2812.13
    sulfolane 4008.45
    2,2,4-trimethylpentane 444.6
    2-methyltetrahydrofuran 6846.04
    n-hexyl acetate 3263.96
    isooctane 383.57
    2-(2-butoxyethoxy)ethanol 2129.21
    sec-butyl acetate 2148.62
    tert-butyl acetate 3093.03
    decalin 654.32
    glycerin 657.08
    diglyme 3544.22
    acrylic acid 1230.13
    isopropyl myristate 1049.25
    n-butyric acid 5223.11
    acetyl acetate 2081.03
    di(2-ethylhexyl) phthalate 731.32
    ethyl propionate 2040.1
    nitromethane 3380.53
    1,2-diethoxyethane 2949.39
    benzonitrile 1915.79
    trioctyl phosphate 619.4
    1-bromopropane 3396.41
    gamma-valerolactone 6036.67
    n-decanol 855.6
    triethyl phosphate 703.38
    4-methyl-2-pentanol 1829.19
    propionitrile 2355.46
    vinylene carbonate 2075.73
    1,1,2-trichlorotrifluoroethane 2686.27
    DMS 1233.43
    cumene 736.45
    2-octanol 1254.88
    2-hexanone 3135.27
    octyl acetate 1260.48
    limonene 1505.01
    1,2-dimethoxyethane 3998.05
    ethyl orthosilicate 768.7
    tributyl phosphate 789.11
    diacetone alcohol 2586.41
    N,N-dimethylaniline 942.55
    acrylonitrile 1815.42
    aniline 1702.11
    1,3-propanediol 1992.13
    bromobenzene 2385.96
    dibromomethane 4689.45
    1,1,2,2-tetrachloroethane 6026.3
    2-methyl-cyclohexyl acetate 1705.26
    tetrabutyl urea 964.95
    diisobutyl methanol 1249.53
    2-phenylethanol 1390.0
    styrene 1140.63
    dioctyl adipate 1239.66
    dimethyl sulfate 676.15
    ethyl butyrate 2542.81
    methyl lactate 763.66
    butyl lactate 1534.3
    diethyl carbonate 1265.82
    propanediol butyl ether 1748.45
    triethyl orthoformate 1499.36
    p-tert-butyltoluene 714.4
    methyl 4-tert-butylbenzoate 1262.86
    morpholine 6981.46
    tert-butylamine 4041.49
    n-dodecanol 621.44
    dimethoxymethane 1924.05
    ethylene carbonate 2239.51
    cyrene 1026.05
    2-ethoxyethyl acetate 2127.36
    2-ethylhexyl acetate 2799.78
    1,2,4-trichlorobenzene 2114.89
    4-methylpyridine 3725.68
    dibutyl ether 2712.14
    2,6-dimethyl-4-heptanol 1249.53
    DEF 2838.02
    dimethyl isosorbide 2197.5
    tetrachloroethylene 3702.07
    eugenol 1078.22
    triacetin 1758.74
    span 80 1668.19
    1,4-butanediol 665.12
    1,1-dichloroethane 5417.69
    2-methyl-1-pentanol 2414.03
    methyl formate 955.33
    2-methyl-1-butanol 3171.22
    n-decane 334.86
    butyronitrile 3890.19
    3,7-dimethyl-1-octanol 1590.22
    1-chlorooctane 1277.01
    1-chlorotetradecane 413.55
    n-nonane 383.75
    undecane 213.05
    tert-butylcyclohexane 606.92
    cyclooctane 599.67
    cyclopentanol 3922.35
    tetrahydropyran 8727.49
    tert-amyl methyl ether 2832.86
    2,5,8-trioxanonane 2027.3
    1-hexene 3452.5
    2-isopropoxyethanol 1659.41
    2,2,2-trifluoroethanol 646.32
    methyl butyrate 3032.19

    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