Rhodinyl isovalerate

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  • Identifiers

    CAS number
    7778-96-3

    Molecular formula
    C15H28O2

    SMILES
    C[C@@H](CCCC(=C)C)CCOC(=O)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 86.02%
    Fruity 81.5%
    Rose 78.37%
    Sweet 55.32%
    Herbal 47.53%
    Geranium 44.31%
    Citrus 41.16%
    Waxy 39.96%
    Apple 37.93%
    Tropical 36.96%

     

    Flavor
    Fruity 63.73%
    Floral 48.02%
    Green 44.87%
    Tropical 40.09%
    Herbal 33.75%
    Oily 32.34%
    Geranium 31.57%
    Waxy 31.29%
    Rose 29.32%
    Sweet 27.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.44 (neutral)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 110.7 ˚C est.

    Solubility expt.

    • soluble in alcohol; practically insoluble in water

  • Synonyms

    • Rhodinyl isovalerate
    • 7778-96-3
    • Rhodinyl isopentanoate
    • Rhodinyl isovalerianate
    • FEMA No. 2987
    • RY3FD3JOGA
    • Rhodinyl 3-methylbutanoate
    • Butanoic acid, 3-methyl-, (3S)-3,7-dimethyl-7-octen-1-yl ester
    • EINECS 231-919-7
    • Isovaleric acid, 3,7-dimethyl-7-octenyl ester, (-)-
    • Butanoic acid, 3-methyl-, (3S)-3,7-dimethyl-7-octenyl ester
    • 3,7-Dimethyl-7-octen-1-yl 3-methylbutanoate
    • Butanoic acid, 3-methyl-, 3,7-dimethyl-7-octenyl ester, (S)-
    • DTXSID80884421
    • 3,7-Dimethyl-7-octen-1-yl isovalerate, (-)-
    • RHODINYL ISOVALERATE [FHFI]
    • 3,7,-Dimethyl-7-octenyl 3-methylbutanoate, (S)-
    • RefChem:882997
    • DTXCID901023862
    • (3S)-3,7-Dimethyl-7-octen-1-yl 3-methylbutanoate
    • (S)-3,7-Dimethyloct-7-enyl isovalerate
    • (3S)-3,7-dimethyloct-7-en-1-yl 3-methylbutanoate
    • [(3S)-3,7-dimethyloct-7-enyl] 3-methylbutanoate
    • UNII-RY3FD3JOGA
    • OZAWINZSOFVOBJ-AWEZNQCLSA-N
    • DB-247948
    • NS00013177
    • Q27288339
    • 7778-96-3

  • Applications

    Rhodinyl isovalerate (CAS 7778-96-3) is an aroma chemical used primarily in fragrance and cosmetic formulations, acting as an odorant and often as a fixative to help preserve scent in perfumes, skincare products, and other personal-care items. It is also encountered in household and cleaning products to impart and maintain fragrance. In industrial manufacturing, it is commonly treated as an intermediate in fragrance synthesis and may be evaluated for flavor or aroma applications in formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11765.08
    methanol 10962.59
    isopropanol 10685.75
    water 0.61
    ethyl acetate 5716.73
    n-propanol 7531.62
    acetone 7822.71
    n-butanol 7286.74
    acetonitrile 4239.49
    DMF 3724.03
    toluene 1408.98
    isobutanol 5784.34
    1,4-dioxane 7478.69
    methyl acetate 3025.26
    THF 10347.43
    2-butanone 4822.45
    n-pentanol 4350.0
    sec-butanol 7259.03
    n-hexane 1037.38
    ethylene glycol 448.92
    NMP 2605.5
    cyclohexane 1503.04
    DMSO 3864.29
    n-butyl acetate 4145.86
    n-octanol 1620.98
    chloroform 7667.46
    n-propyl acetate 3016.15
    acetic acid 4681.29
    dichloromethane 6204.36
    cyclohexanone 7195.16
    propylene glycol 1477.68
    isopropyl acetate 3647.59
    DMAc 2451.36
    2-ethoxyethanol 3356.76
    isopentanol 6037.21
    n-heptane 447.25
    ethyl formate 2630.48
    1,2-dichloroethane 4141.94
    n-hexanol 4529.61
    2-methoxyethanol 5859.17
    isobutyl acetate 1873.43
    tetrachloromethane 1001.02
    n-pentyl acetate 2115.29
    transcutol 9190.2
    n-heptanol 1530.32
    ethylbenzene 880.14
    MIBK 2643.75
    2-propoxyethanol 4375.17
    tert-butanol 9554.54
    MTBE 6551.71
    2-butoxyethanol 2144.52
    propionic acid 2914.06
    o-xylene 828.9
    formic acid 849.57
    diethyl ether 5986.62
    m-xylene 1039.68
    p-xylene 1241.98
    chlorobenzene 2006.88
    dimethyl carbonate 511.36
    n-octane 159.76
    formamide 1075.12
    cyclopentanone 4869.96
    2-pentanone 4688.98
    anisole 1596.23
    cyclopentyl methyl ether 4132.37
    gamma-butyrolactone 4548.11
    1-methoxy-2-propanol 4919.69
    pyridine 3899.53
    3-pentanone 2185.25
    furfural 3014.7
    n-dodecane 96.52
    diethylene glycol 1880.99
    diisopropyl ether 1670.62
    tert-amyl alcohol 6565.55
    acetylacetone 3466.87
    n-hexadecane 114.62
    acetophenone 1263.71
    methyl propionate 2402.62
    isopentyl acetate 3544.2
    trichloroethylene 6713.59
    n-nonanol 1305.27
    cyclohexanol 5917.31
    benzyl alcohol 1440.53
    2-ethylhexanol 2172.87
    isooctanol 1234.95
    dipropyl ether 2535.96
    1,2-dichlorobenzene 1523.94
    ethyl lactate 882.11
    propylene carbonate 2859.16
    n-methylformamide 2029.68
    2-pentanol 5262.51
    n-pentane 702.81
    1-propoxy-2-propanol 3575.49
    1-methoxy-2-propyl acetate 2688.83
    2-(2-methoxypropoxy) propanol 1598.73
    mesitylene 673.89
    ε-caprolactone 5104.03
    p-cymene 580.76
    epichlorohydrin 5721.49
    1,1,1-trichloroethane 4290.92
    2-aminoethanol 1751.96
    morpholine-4-carbaldehyde 3207.04
    sulfolane 3496.14
    2,2,4-trimethylpentane 309.49
    2-methyltetrahydrofuran 8090.11
    n-hexyl acetate 2984.85
    isooctane 278.7
    2-(2-butoxyethoxy)ethanol 2704.15
    sec-butyl acetate 2151.49
    tert-butyl acetate 3335.14
    decalin 414.7
    glycerin 1143.92
    diglyme 4302.93
    acrylic acid 1442.98
    isopropyl myristate 899.02
    n-butyric acid 6862.31
    acetyl acetate 2210.51
    di(2-ethylhexyl) phthalate 663.69
    ethyl propionate 2029.09
    nitromethane 4677.82
    1,2-diethoxyethane 3497.72
    benzonitrile 1926.49
    trioctyl phosphate 537.71
    1-bromopropane 3295.26
    gamma-valerolactone 6427.1
    n-decanol 840.37
    triethyl phosphate 613.27
    4-methyl-2-pentanol 2341.04
    propionitrile 2849.97
    vinylene carbonate 2119.21
    1,1,2-trichlorotrifluoroethane 2970.49
    DMS 1116.49
    cumene 616.86
    2-octanol 1249.94
    2-hexanone 3397.48
    octyl acetate 1120.46
    limonene 1225.81
    1,2-dimethoxyethane 5758.25
    ethyl orthosilicate 676.02
    tributyl phosphate 722.38
    diacetone alcohol 3151.03
    N,N-dimethylaniline 887.98
    acrylonitrile 2226.68
    aniline 2036.68
    1,3-propanediol 3851.98
    bromobenzene 1982.79
    dibromomethane 4628.68
    1,1,2,2-tetrachloroethane 5859.81
    2-methyl-cyclohexyl acetate 1518.03
    tetrabutyl urea 816.02
    diisobutyl methanol 1156.8
    2-phenylethanol 1567.8
    styrene 1041.66
    dioctyl adipate 1112.47
    dimethyl sulfate 636.91
    ethyl butyrate 2360.07
    methyl lactate 902.16
    butyl lactate 1422.93
    diethyl carbonate 1151.28
    propanediol butyl ether 2119.36
    triethyl orthoformate 1387.55
    p-tert-butyltoluene 551.14
    methyl 4-tert-butylbenzoate 1135.33
    morpholine 10194.59
    tert-butylamine 5476.83
    n-dodecanol 597.3
    dimethoxymethane 2735.12
    ethylene carbonate 2233.82
    cyrene 1074.21
    2-ethoxyethyl acetate 2130.39
    2-ethylhexyl acetate 2506.68
    1,2,4-trichlorobenzene 1738.55
    4-methylpyridine 4279.53
    dibutyl ether 2471.89
    2,6-dimethyl-4-heptanol 1156.8
    DEF 3251.83
    dimethyl isosorbide 2328.79
    tetrachloroethylene 3415.16
    eugenol 1083.02
    triacetin 1572.46
    span 80 1739.12
    1,4-butanediol 1184.09
    1,1-dichloroethane 5168.33
    2-methyl-1-pentanol 3532.07
    methyl formate 1349.22
    2-methyl-1-butanol 4747.61
    n-decane 205.39
    butyronitrile 4932.89
    3,7-dimethyl-1-octanol 1629.45
    1-chlorooctane 985.88
    1-chlorotetradecane 303.85
    n-nonane 229.61
    undecane 131.59
    tert-butylcyclohexane 409.24
    cyclooctane 322.62
    cyclopentanol 4591.95
    tetrahydropyran 11107.7
    tert-amyl methyl ether 3245.54
    2,5,8-trioxanonane 2413.21
    1-hexene 3171.42
    2-isopropoxyethanol 2322.46
    2,2,2-trifluoroethanol 759.74
    methyl butyrate 3265.37

    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