Bovolide

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  • Identifiers

    CAS number
    774-64-1

    Molecular formula
    C11H16O2

    SMILES
    CCCC/C=C/1\C(=C(C(=O)O1)C)C

    Retention indicies (RI)

    • Carbowax: 2176.0

  • Odor profile

    Herbal 70.74%
    Spicy 59.85%
    Celery 52.02%
    Mint 46.64%
    Lactonic 41.28%
    Green 35.51%
    Fruity 35.43%
    Coconut 33.69%
    Caramellic 31.74%
    Sweet 30.96%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    180.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 302.00 to 303.00 °C. @ 760.00 mm Hg

    Flash point est.
    115.56 ˚C

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Bovolide
    • (5E)-3,4-dimethyl-5-pentylidenefuran-2-one
    • 2(5H)-FURANONE, 3,4-DIMETHYL-5-PENTYLIDENE-
    • 3,4-Dimethyl-5-pentylidene-2(5H)-furanone
    • BRN 1343514
    • 774-64-1
    • 5-17-09-00510 (Beilstein Handbook Reference)
    • (5E)-3,4-dimethyl-5-pentylidene-2,5-dihydrofuran-2-one
    • Bovolid
    • DTXSID901009987
    • Bovolide, cis-
    • BE7XYJ6KNN
    • SCHEMBL3106889
    • DTXCID20909147
    • CHEBI:195867
    • DTXSID601336115
    • 3,4-Dimethyl-5-pentylidene-2(5H)furanone
    • (5E)-3,4-dimethyl-5-pentylideneuran-2-one
    • (5E)-3,4-Dimethyl-5-pentylidene-2(5H)-furanone
    • (5Z)-3,4-Dimethyl-5-pentylidene-2(5H)-furanone
    • 2(5H)-Furanone,3,4-dimethyl-5-pentylidene-,(5Z)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2058.07
    methanol 2253.73
    isopropanol 1849.66
    water 0.55
    ethyl acetate 2899.63
    n-propanol 1981.67
    acetone 3179.51
    n-butanol 2026.27
    acetonitrile 2257.45
    DMF 4503.08
    toluene 1746.39
    isobutanol 1833.45
    1,4-dioxane 3403.83
    methyl acetate 2465.59
    THF 2931.47
    2-butanone 3201.29
    n-pentanol 1271.38
    sec-butanol 2159.54
    n-hexane 183.82
    ethylene glycol 178.14
    NMP 2783.8
    cyclohexane 267.35
    DMSO 1681.0
    n-butyl acetate 2105.68
    n-octanol 465.35
    chloroform 6338.13
    n-propyl acetate 1600.26
    acetic acid 1381.77
    dichloromethane 5426.59
    cyclohexanone 3351.01
    propylene glycol 333.84
    isopropyl acetate 1990.44
    DMAc 3120.98
    2-ethoxyethanol 1456.83
    isopentanol 2163.6
    n-heptane 47.78
    ethyl formate 1275.39
    1,2-dichloroethane 3833.07
    n-hexanol 1236.88
    2-methoxyethanol 2280.14
    isobutyl acetate 1054.69
    tetrachloromethane 747.39
    n-pentyl acetate 1129.22
    transcutol 3972.86
    n-heptanol 520.7
    ethylbenzene 812.7
    MIBK 1504.53
    2-propoxyethanol 1832.19
    tert-butanol 2348.46
    MTBE 3517.95
    2-butoxyethanol 1006.64
    propionic acid 1152.82
    o-xylene 891.45
    formic acid 383.49
    diethyl ether 2940.1
    m-xylene 1043.47
    p-xylene 1080.7
    chlorobenzene 2261.13
    dimethyl carbonate 793.95
    n-octane 33.83
    formamide 877.21
    cyclopentanone 2970.87
    2-pentanone 2501.58
    anisole 1593.02
    cyclopentyl methyl ether 1873.42
    gamma-butyrolactone 2936.21
    1-methoxy-2-propanol 1766.21
    pyridine 3593.23
    3-pentanone 1991.18
    furfural 2407.53
    n-dodecane 32.93
    diethylene glycol 861.78
    diisopropyl ether 783.99
    tert-amyl alcohol 2333.29
    acetylacetone 2246.08
    n-hexadecane 40.32
    acetophenone 1353.82
    methyl propionate 2023.42
    isopentyl acetate 1916.6
    trichloroethylene 6705.59
    n-nonanol 418.97
    cyclohexanol 1692.19
    benzyl alcohol 1192.83
    2-ethylhexanol 682.72
    isooctanol 486.28
    dipropyl ether 604.07
    1,2-dichlorobenzene 1920.24
    ethyl lactate 446.0
    propylene carbonate 1689.9
    n-methylformamide 1750.99
    2-pentanol 1548.87
    n-pentane 164.99
    1-propoxy-2-propanol 1109.99
    1-methoxy-2-propyl acetate 1524.4
    2-(2-methoxypropoxy) propanol 784.57
    mesitylene 590.34
    ε-caprolactone 2765.66
    p-cymene 301.98
    epichlorohydrin 3938.06
    1,1,1-trichloroethane 3533.62
    2-aminoethanol 614.21
    morpholine-4-carbaldehyde 2678.21
    sulfolane 2333.38
    2,2,4-trimethylpentane 131.19
    2-methyltetrahydrofuran 2935.02
    n-hexyl acetate 1395.09
    isooctane 108.14
    2-(2-butoxyethoxy)ethanol 1166.95
    sec-butyl acetate 1218.81
    tert-butyl acetate 1952.21
    decalin 175.03
    glycerin 393.09
    diglyme 2080.14
    acrylic acid 893.3
    isopropyl myristate 409.91
    n-butyric acid 2149.78
    acetyl acetate 1421.56
    di(2-ethylhexyl) phthalate 378.59
    ethyl propionate 1311.05
    nitromethane 2615.87
    1,2-diethoxyethane 1853.78
    benzonitrile 1784.15
    trioctyl phosphate 259.29
    1-bromopropane 2209.64
    gamma-valerolactone 3613.63
    n-decanol 293.02
    triethyl phosphate 351.41
    4-methyl-2-pentanol 844.2
    propionitrile 1995.61
    vinylene carbonate 1670.54
    1,1,2-trichlorotrifluoroethane 1735.02
    DMS 1090.9
    cumene 511.27
    2-octanol 414.53
    2-hexanone 1556.62
    octyl acetate 535.85
    limonene 441.09
    1,2-dimethoxyethane 2591.01
    ethyl orthosilicate 373.61
    tributyl phosphate 364.62
    diacetone alcohol 1480.0
    N,N-dimethylaniline 916.24
    acrylonitrile 2202.99
    aniline 1927.37
    1,3-propanediol 1139.52
    bromobenzene 2607.67
    dibromomethane 3502.46
    1,1,2,2-tetrachloroethane 5122.93
    2-methyl-cyclohexyl acetate 687.36
    tetrabutyl urea 451.13
    diisobutyl methanol 353.37
    2-phenylethanol 1032.14
    styrene 1153.45
    dioctyl adipate 510.59
    dimethyl sulfate 940.66
    ethyl butyrate 944.2
    methyl lactate 558.36
    butyl lactate 642.74
    diethyl carbonate 608.19
    propanediol butyl ether 747.47
    triethyl orthoformate 599.59
    p-tert-butyltoluene 311.63
    methyl 4-tert-butylbenzoate 795.12
    morpholine 4062.18
    tert-butylamine 1615.63
    n-dodecanol 212.54
    dimethoxymethane 2223.06
    ethylene carbonate 1452.98
    cyrene 693.2
    2-ethoxyethyl acetate 1474.28
    2-ethylhexyl acetate 1443.88
    1,2,4-trichlorobenzene 1951.23
    4-methylpyridine 4286.02
    dibutyl ether 686.73
    2,6-dimethyl-4-heptanol 353.37
    DEF 3006.89
    dimethyl isosorbide 1218.11
    tetrachloroethylene 3000.68
    eugenol 866.79
    triacetin 872.85
    span 80 659.36
    1,4-butanediol 413.87
    1,1-dichloroethane 4194.89
    2-methyl-1-pentanol 1520.94
    methyl formate 1162.37
    2-methyl-1-butanol 2129.67
    n-decane 52.62
    butyronitrile 2174.64
    3,7-dimethyl-1-octanol 532.69
    1-chlorooctane 341.81
    1-chlorotetradecane 138.92
    n-nonane 46.12
    undecane 40.19
    tert-butylcyclohexane 175.2
    cyclooctane 74.58
    cyclopentanol 1325.55
    tetrahydropyran 3387.01
    tert-amyl methyl ether 1980.08
    2,5,8-trioxanonane 1185.15
    1-hexene 823.33
    2-isopropoxyethanol 1119.79
    2,2,2-trifluoroethanol 455.0
    methyl butyrate 1862.86

    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

Botanical

Name CAS Botanical Proportion
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.4%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.2%
Nepeta betonicifolia (Turkey) Nepeta betonicifolia C.A. Meyer, fam. Lamiaceae (Labiatae) 0.3%
Spinach, cooked Spinacia oleracea L., fam. Oleraceae 0.01%