3,7-Dimethyloct-7-enyl propanoate

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  • Identifiers

    CAS number
    105-89-5

    Molecular formula
    C13H24O2

    SMILES
    CCC(=O)OCCC(C)CCCC(=C)C

  • Odor profile

    Fragrance
    Floral 92.71%
    Rose 83.07%
    Sweet 75.96%
    Fruity 75.67%
    Waxy 58.92%
    Citrus 51.38%
    Geranium 50.6%
    Fresh 49.42%
    Green 46.28%
    Tropical 41.68%

     

    Flavor
    Fruity 67.59%
    Floral 63.26%
    Green 43.9%
    Tropical 43.61%
    Rose 40.28%
    Waxy 39.41%
    Geranium 35.16%
    Oily 33.12%
    Bitter 31.5%
    Sweet 31.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.94 (neutral)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Flash point

    • 99.83 ˚C est.

  • Synonyms

    • Rhodinyl propionate
    • 105-89-5
    • 3,7-dimethyloct-7-enyl propanoate
    • 3,7-dimethyloct-7-en-1-yl propanoate
    • 3,7-dimethyloct-7-en-1-yl propionate
    • 7-Octen-1-ol,3,7-dimethyl-, 1-propanoate
    • FEMA 2986
    • SCHEMBL3506899
    • DTXSID40861718
    • CHEBI:171791
    • HIOFEMJTKIEZFX-UHFFFAOYSA-N
    • LMFA07011016
    • DB-040661
    • NS00013179

  • Applications

    3,7-Dimethyloct-7-enyl propanoate (CAS 105-89-5) is primarily used in fragrance and cosmetic applications as a scent ingredient and potential fixative to extend aroma. In perfumery, the compound contributes terpenoid-like green-floral notes and can help sustain a fragrance in formulations. In cosmetics and personal care, it is commonly included in fragrance systems for products such as lotions, shampoos, and skincare creams to impart a long-lasting scent. In household products like air fresheners, laundry detergents, and cleaners, it provides a fragrance component. It may also be evaluated as an intermediate in industrial fragrance synthesis, and, where allowed, may be used in flavor formulations as an aroma adjunct, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18090.2
    methanol 19452.04
    isopropanol 13283.36
    water 0.5
    ethyl acetate 9404.87
    n-propanol 10780.87
    acetone 9564.46
    n-butanol 9634.95
    acetonitrile 6771.86
    DMF 3725.33
    toluene 1788.48
    isobutanol 6781.88
    1,4-dioxane 10863.81
    methyl acetate 4503.44
    THF 11401.57
    2-butanone 6067.03
    n-pentanol 6094.4
    sec-butanol 9071.09
    n-hexane 856.9
    ethylene glycol 536.48
    NMP 1963.94
    cyclohexane 1078.63
    DMSO 4346.72
    n-butyl acetate 5009.84
    n-octanol 1313.78
    chloroform 8214.55
    n-propyl acetate 4625.63
    acetic acid 5314.42
    dichloromethane 7410.85
    cyclohexanone 6513.39
    propylene glycol 1482.1
    isopropyl acetate 5437.16
    DMAc 2712.91
    2-ethoxyethanol 5993.09
    isopentanol 7351.02
    n-heptane 274.24
    ethyl formate 3899.84
    1,2-dichloroethane 4600.04
    n-hexanol 5015.55
    2-methoxyethanol 8476.81
    isobutyl acetate 2279.98
    tetrachloromethane 1038.51
    n-pentyl acetate 2299.99
    transcutol 12354.74
    n-heptanol 1433.15
    ethylbenzene 948.02
    MIBK 3057.04
    2-propoxyethanol 5943.07
    tert-butanol 11215.65
    MTBE 9430.46
    2-butoxyethanol 2404.71
    propionic acid 3143.37
    o-xylene 853.09
    formic acid 1132.62
    diethyl ether 10371.36
    m-xylene 1077.17
    p-xylene 1217.47
    chlorobenzene 1965.07
    dimethyl carbonate 549.7
    n-octane 88.96
    formamide 1725.4
    cyclopentanone 4272.5
    2-pentanone 6129.95
    anisole 1976.41
    cyclopentyl methyl ether 4745.67
    gamma-butyrolactone 4093.68
    1-methoxy-2-propanol 5949.49
    pyridine 5538.47
    3-pentanone 2508.12
    furfural 3034.46
    n-dodecane 57.39
    diethylene glycol 2405.26
    diisopropyl ether 2005.83
    tert-amyl alcohol 7575.52
    acetylacetone 4146.86
    n-hexadecane 67.58
    acetophenone 1395.76
    methyl propionate 3098.66
    isopentyl acetate 4188.92
    trichloroethylene 7289.75
    n-nonanol 1059.5
    cyclohexanol 5982.75
    benzyl alcohol 1757.96
    2-ethylhexanol 2279.19
    isooctanol 1124.47
    dipropyl ether 2911.98
    1,2-dichlorobenzene 1389.87
    ethyl lactate 941.73
    propylene carbonate 2477.45
    n-methylformamide 2585.56
    2-pentanol 5998.8
    n-pentane 597.02
    1-propoxy-2-propanol 4193.15
    1-methoxy-2-propyl acetate 3316.32
    2-(2-methoxypropoxy) propanol 1604.49
    mesitylene 607.96
    ε-caprolactone 5344.45
    p-cymene 488.98
    epichlorohydrin 6619.62
    1,1,1-trichloroethane 4430.44
    2-aminoethanol 2507.39
    morpholine-4-carbaldehyde 3694.51
    sulfolane 2637.57
    2,2,4-trimethylpentane 242.67
    2-methyltetrahydrofuran 10178.31
    n-hexyl acetate 2989.57
    isooctane 209.86
    2-(2-butoxyethoxy)ethanol 2788.73
    sec-butyl acetate 3131.21
    tert-butyl acetate 4291.49
    decalin 330.48
    glycerin 1132.36
    diglyme 4918.4
    acrylic acid 1494.8
    isopropyl myristate 726.79
    n-butyric acid 8026.0
    acetyl acetate 2967.31
    di(2-ethylhexyl) phthalate 580.61
    ethyl propionate 3059.02
    nitromethane 5621.8
    1,2-diethoxyethane 5391.22
    benzonitrile 2174.83
    trioctyl phosphate 415.54
    1-bromopropane 4077.57
    gamma-valerolactone 6634.66
    n-decanol 669.42
    triethyl phosphate 626.01
    4-methyl-2-pentanol 2450.09
    propionitrile 4359.32
    vinylene carbonate 2029.99
    1,1,2-trichlorotrifluoroethane 2854.8
    DMS 1127.22
    cumene 565.64
    2-octanol 1071.48
    2-hexanone 4226.17
    octyl acetate 896.02
    limonene 998.4
    1,2-dimethoxyethane 8935.34
    ethyl orthosilicate 726.06
    tributyl phosphate 627.06
    diacetone alcohol 3367.29
    N,N-dimethylaniline 949.91
    acrylonitrile 3196.55
    aniline 2569.38
    1,3-propanediol 4692.59
    bromobenzene 2012.47
    dibromomethane 5188.41
    1,1,2,2-tetrachloroethane 5734.98
    2-methyl-cyclohexyl acetate 1481.82
    tetrabutyl urea 657.32
    diisobutyl methanol 1021.73
    2-phenylethanol 1746.18
    styrene 1340.69
    dioctyl adipate 970.93
    dimethyl sulfate 564.49
    ethyl butyrate 2925.17
    methyl lactate 880.64
    butyl lactate 1299.29
    diethyl carbonate 1357.18
    propanediol butyl ether 1833.59
    triethyl orthoformate 1583.57
    p-tert-butyltoluene 471.33
    methyl 4-tert-butylbenzoate 982.99
    morpholine 15724.29
    tert-butylamine 6485.38
    n-dodecanol 448.58
    dimethoxymethane 3586.73
    ethylene carbonate 2135.32
    cyrene 1030.41
    2-ethoxyethyl acetate 2634.35
    2-ethylhexyl acetate 2744.18
    1,2,4-trichlorobenzene 1608.42
    4-methylpyridine 5695.75
    dibutyl ether 2468.54
    2,6-dimethyl-4-heptanol 1021.73
    DEF 4571.09
    dimethyl isosorbide 2181.8
    tetrachloroethylene 3483.69
    eugenol 1029.39
    triacetin 1501.81
    span 80 1506.34
    1,4-butanediol 1568.43
    1,1-dichloroethane 6027.19
    2-methyl-1-pentanol 4412.25
    methyl formate 1486.59
    2-methyl-1-butanol 5916.27
    n-decane 128.03
    butyronitrile 6819.96
    3,7-dimethyl-1-octanol 1428.06
    1-chlorooctane 728.2
    1-chlorotetradecane 200.96
    n-nonane 133.65
    undecane 79.58
    tert-butylcyclohexane 341.94
    cyclooctane 212.44
    cyclopentanol 4313.32
    tetrahydropyran 14243.44
    tert-amyl methyl ether 4538.02
    2,5,8-trioxanonane 2567.33
    1-hexene 3569.73
    2-isopropoxyethanol 3605.42
    2,2,2-trifluoroethanol 701.4
    methyl butyrate 4711.75

    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