Filifolide A

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  • Identifiers

    CAS number
    50585-61-0

    Molecular formula
    C10H14O2

    SMILES
    CC1=CC([C@H]2C[C@@H]1OC2=O)(C)C

  • Odor profile

    Mint 63.31%
    Herbal 61.69%
    Spicy 54.07%
    Sweet 53.85%
    Woody 50.13%
    Tobacco 47.73%
    Camphoreous 44.15%
    Hay 31.12%
    Warm 29.81%
    Cooling 29.15%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point est.
    99.39 ˚C

  • Synonyms

    • Filifolide A
    • 50585-61-0
    • (1R,5s)-2,2,4-trimethyl-6-oxabicyclo[3.2.1]oct-3-en-7-one
    • (1R,5S)-2,2,4-trimethyl-6-oxabicyclo(3.2.1)oct-3-en-7-one
    • DTXSID901345698
    • DB-257451
    • Q63409043

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.55
    methanol 246.57
    isopropanol 132.39
    water 4.67
    ethyl acetate 226.85
    n-propanol 143.83
    acetone 238.92
    n-butanol 124.23
    acetonitrile 288.11
    DMF 326.5
    toluene 171.8
    isobutanol 103.44
    1,4-dioxane 467.87
    methyl acetate 224.46
    THF 585.87
    2-butanone 188.89
    n-pentanol 91.26
    sec-butanol 108.75
    n-hexane 14.25
    ethylene glycol 64.45
    NMP 313.63
    cyclohexane 26.65
    DMSO 199.44
    n-butyl acetate 144.31
    n-octanol 92.17
    chloroform 829.37
    n-propyl acetate 114.65
    acetic acid 233.66
    dichloromethane 635.95
    cyclohexanone 271.23
    propylene glycol 67.82
    isopropyl acetate 148.17
    DMAc 216.8
    2-ethoxyethanol 151.05
    isopentanol 118.39
    n-heptane 13.25
    ethyl formate 147.9
    1,2-dichloroethane 308.9
    n-hexanol 161.32
    2-methoxyethanol 275.86
    isobutyl acetate 82.75
    tetrachloromethane 110.71
    n-pentyl acetate 105.74
    transcutol 531.03
    n-heptanol 82.91
    ethylbenzene 80.46
    MIBK 132.53
    2-propoxyethanol 287.9
    tert-butanol 154.82
    MTBE 136.87
    2-butoxyethanol 155.86
    propionic acid 159.37
    o-xylene 103.69
    formic acid 148.99
    diethyl ether 178.12
    m-xylene 141.07
    p-xylene 102.29
    chlorobenzene 228.03
    dimethyl carbonate 124.25
    n-octane 7.05
    formamide 175.45
    cyclopentanone 348.98
    2-pentanone 174.58
    anisole 163.42
    cyclopentyl methyl ether 234.31
    gamma-butyrolactone 442.87
    1-methoxy-2-propanol 216.94
    pyridine 294.87
    3-pentanone 140.48
    furfural 349.05
    n-dodecane 8.11
    diethylene glycol 236.86
    diisopropyl ether 69.3
    tert-amyl alcohol 118.96
    acetylacetone 213.45
    n-hexadecane 9.38
    acetophenone 135.37
    methyl propionate 184.43
    isopentyl acetate 131.74
    trichloroethylene 622.94
    n-nonanol 79.65
    cyclohexanol 138.88
    benzyl alcohol 116.19
    2-ethylhexanol 83.61
    isooctanol 67.1
    dipropyl ether 86.28
    1,2-dichlorobenzene 206.3
    ethyl lactate 75.55
    propylene carbonate 233.33
    n-methylformamide 214.67
    2-pentanol 97.86
    n-pentane 16.26
    1-propoxy-2-propanol 169.27
    1-methoxy-2-propyl acetate 183.24
    2-(2-methoxypropoxy) propanol 148.56
    mesitylene 87.03
    ε-caprolactone 253.16
    p-cymene 53.56
    epichlorohydrin 461.54
    1,1,1-trichloroethane 325.38
    2-aminoethanol 108.7
    morpholine-4-carbaldehyde 349.25
    sulfolane 332.47
    2,2,4-trimethylpentane 12.65
    2-methyltetrahydrofuran 318.18
    n-hexyl acetate 170.75
    isooctane 12.35
    2-(2-butoxyethoxy)ethanol 196.72
    sec-butyl acetate 91.63
    tert-butyl acetate 152.77
    decalin 18.84
    glycerin 110.05
    diglyme 323.67
    acrylic acid 164.55
    isopropyl myristate 66.04
    n-butyric acid 184.92
    acetyl acetate 170.77
    di(2-ethylhexyl) phthalate 69.24
    ethyl propionate 120.44
    nitromethane 372.26
    1,2-diethoxyethane 155.47
    benzonitrile 188.96
    trioctyl phosphate 51.98
    1-bromopropane 175.87
    gamma-valerolactone 403.47
    n-decanol 58.12
    triethyl phosphate 63.24
    4-methyl-2-pentanol 77.53
    propionitrile 187.08
    vinylene carbonate 241.38
    1,1,2-trichlorotrifluoroethane 266.05
    DMS 166.69
    cumene 60.75
    2-octanol 59.62
    2-hexanone 113.01
    octyl acetate 82.54
    limonene 64.86
    1,2-dimethoxyethane 233.66
    ethyl orthosilicate 62.96
    tributyl phosphate 63.97
    diacetone alcohol 159.9
    N,N-dimethylaniline 106.37
    acrylonitrile 236.86
    aniline 170.18
    1,3-propanediol 148.0
    bromobenzene 233.32
    dibromomethane 397.55
    1,1,2,2-tetrachloroethane 438.36
    2-methyl-cyclohexyl acetate 98.65
    tetrabutyl urea 74.33
    diisobutyl methanol 53.13
    2-phenylethanol 151.75
    styrene 89.8
    dioctyl adipate 82.48
    dimethyl sulfate 176.25
    ethyl butyrate 99.08
    methyl lactate 106.13
    butyl lactate 89.98
    diethyl carbonate 79.76
    propanediol butyl ether 136.46
    triethyl orthoformate 80.17
    p-tert-butyltoluene 54.62
    methyl 4-tert-butylbenzoate 136.5
    morpholine 422.7
    tert-butylamine 102.56
    n-dodecanol 43.41
    dimethoxymethane 274.08
    ethylene carbonate 201.08
    cyrene 135.2
    2-ethoxyethyl acetate 160.33
    2-ethylhexyl acetate 105.2
    1,2,4-trichlorobenzene 226.24
    4-methylpyridine 276.24
    dibutyl ether 75.61
    2,6-dimethyl-4-heptanol 53.13
    DEF 173.15
    dimethyl isosorbide 234.16
    tetrachloroethylene 282.71
    eugenol 136.5
    triacetin 143.14
    span 80 121.85
    1,4-butanediol 59.5
    1,1-dichloroethane 336.98
    2-methyl-1-pentanol 89.44
    methyl formate 193.39
    2-methyl-1-butanol 104.92
    n-decane 12.72
    butyronitrile 174.43
    3,7-dimethyl-1-octanol 85.24
    1-chlorooctane 59.15
    1-chlorotetradecane 25.15
    n-nonane 11.11
    undecane 9.86
    tert-butylcyclohexane 18.02
    cyclooctane 12.24
    cyclopentanol 157.57
    tetrahydropyran 309.72
    tert-amyl methyl ether 108.92
    2,5,8-trioxanonane 223.34
    1-hexene 54.84
    2-isopropoxyethanol 115.27
    2,2,2-trifluoroethanol 130.68
    methyl butyrate 129.84

    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
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 1.1%
Tansy (Japan) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 1.2%
Artemisia barrelieri Artemisia barrelieri Besser, fam. Asteraceae (Compositae) 0.8%
Prostanthera staurophylla Prostanthera staurophylla F. Muell., fam. Lamiaceae (Labiatae) 0.6%