Isoavocadienofuran

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  • Identifiers

    CAS number
    34227-09-3

    Molecular formula
    C17H26O

    SMILES
    C=CCCCCCCCC/C=C/CC1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 70.36%
    Oily 48.28%
    Waxy 46.52%
    Green 36.52%
    Herbal 35.39%
    Citrus 34.72%
    Meaty 32.63%
    Fruity 30.28%
    Sweet 30.27%
    Spicy 27.55%

     

    Flavor
    Fatty 30.34%
    Waxy 27.45%
    Fruity 20.88%
    Slightly waxy 20.74%
    Delicate 20.55%
    Diterpene 20.28%
    Low 20.27%
    Dewy 20.22%
    Grapefruit peel 19.89%
    Terpentine 19.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    6.48 (neutral)

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 140.43 ˚C est.

  • Synonyms

    • Isoavocadienofuran
    • ((2-methoxyphenyl)amino)-Acetonitrile
    • 2-((2E)-trideca-2,12-dienyl)furan
    • 2-[(2E)-trideca-2,12-dienyl]furan
    • RefChem:149035
    • Furan, 2-(2,12-tridecadienyl)-
    • 34227-09-3
    • 8KM59SU9K7
    • CHEBI:196584
    • 2-[(2E)-trideca-2,12-dienyl]uran
    • 34227-09-3

  • Applications

    Isoavocadienofuran (CAS 34227-09-3) is primarily employed as an organic intermediate and specialty aroma chemical, with potential roles in fragrance and flavor formulations. In perfumery it can act as an odor-active component or fragrance precursor; in the food and beverage sector it may be evaluated as an aroma compound or flavor precursor. In cosmetics and personal care, it is considered as a fragrance ingredient or scent modifier. In cleaning and household products, it may serve as an odorant or fragrance additive to improve product olfactory profiles. In industrial manufacturing, it can function as a building block for downstream synthesis of more complex specialty chemicals, including fragrance, flavor, and material-chemistry intermediates. Use is typically subject to formulation constraints and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1558.87
    methanol 899.17
    isopropanol 1305.51
    water 0.01
    ethyl acetate 2457.35
    n-propanol 1502.31
    acetone 2240.01
    n-butanol 1382.36
    acetonitrile 638.53
    DMF 785.18
    toluene 1077.38
    isobutanol 1113.19
    1,4-dioxane 2905.79
    methyl acetate 1346.25
    THF 4513.9
    2-butanone 2103.87
    n-pentanol 1044.29
    sec-butanol 1431.05
    n-hexane 535.08
    ethylene glycol 56.7
    NMP 687.57
    cyclohexane 1346.6
    DMSO 2151.78
    n-butyl acetate 1484.73
    n-octanol 312.68
    chloroform 3937.75
    n-propyl acetate 1476.53
    acetic acid 437.82
    dichloromethane 4461.61
    cyclohexanone 2488.04
    propylene glycol 205.91
    isopropyl acetate 1578.33
    DMAc 1134.85
    2-ethoxyethanol 1080.84
    isopentanol 1267.28
    n-heptane 339.28
    ethyl formate 593.34
    1,2-dichloroethane 3251.83
    n-hexanol 909.65
    2-methoxyethanol 1361.41
    isobutyl acetate 874.39
    tetrachloromethane 654.73
    n-pentyl acetate 853.97
    transcutol 4281.58
    n-heptanol 329.48
    ethylbenzene 504.05
    MIBK 1251.95
    2-propoxyethanol 1207.63
    tert-butanol 1431.64
    MTBE 2714.34
    2-butoxyethanol 597.15
    propionic acid 496.68
    o-xylene 497.55
    formic acid 51.72
    diethyl ether 4380.38
    m-xylene 585.12
    p-xylene 531.93
    chlorobenzene 927.46
    dimethyl carbonate 306.43
    n-octane 91.91
    formamide 106.62
    cyclopentanone 1832.93
    2-pentanone 2116.88
    anisole 854.63
    cyclopentyl methyl ether 2280.16
    gamma-butyrolactone 1384.18
    1-methoxy-2-propanol 1245.77
    pyridine 2012.02
    3-pentanone 1451.41
    furfural 864.1
    n-dodecane 48.05
    diethylene glycol 429.03
    diisopropyl ether 953.65
    tert-amyl alcohol 1357.34
    acetylacetone 1569.77
    n-hexadecane 59.06
    acetophenone 674.5
    methyl propionate 1274.07
    isopentyl acetate 1262.72
    trichloroethylene 3677.81
    n-nonanol 310.53
    cyclohexanol 1404.04
    benzyl alcohol 538.28
    2-ethylhexanol 655.65
    isooctanol 332.18
    dipropyl ether 1885.14
    1,2-dichlorobenzene 781.73
    ethyl lactate 322.58
    propylene carbonate 810.05
    n-methylformamide 324.24
    2-pentanol 1145.81
    n-pentane 465.97
    1-propoxy-2-propanol 1098.23
    1-methoxy-2-propyl acetate 1206.86
    2-(2-methoxypropoxy) propanol 599.16
    mesitylene 367.42
    ε-caprolactone 1689.34
    p-cymene 289.63
    epichlorohydrin 2720.04
    1,1,1-trichloroethane 2265.74
    2-aminoethanol 254.71
    morpholine-4-carbaldehyde 959.41
    sulfolane 1531.42
    2,2,4-trimethylpentane 174.84
    2-methyltetrahydrofuran 3768.06
    n-hexyl acetate 963.55
    isooctane 140.89
    2-(2-butoxyethoxy)ethanol 869.33
    sec-butyl acetate 1047.17
    tert-butyl acetate 1479.73
    decalin 283.1
    glycerin 197.25
    diglyme 1874.13
    acrylic acid 244.07
    isopropyl myristate 367.19
    n-butyric acid 1268.6
    acetyl acetate 874.88
    di(2-ethylhexyl) phthalate 248.07
    ethyl propionate 1153.82
    nitromethane 787.96
    1,2-diethoxyethane 2539.31
    benzonitrile 538.04
    trioctyl phosphate 171.1
    1-bromopropane 2974.42
    gamma-valerolactone 1887.88
    n-decanol 217.0
    triethyl phosphate 364.96
    4-methyl-2-pentanol 580.07
    propionitrile 865.55
    vinylene carbonate 554.14
    1,1,2-trichlorotrifluoroethane 1065.25
    DMS 554.21
    cumene 306.35
    2-octanol 245.57
    2-hexanone 1460.39
    octyl acetate 396.83
    limonene 616.07
    1,2-dimethoxyethane 2258.99
    ethyl orthosilicate 423.62
    tributyl phosphate 257.68
    diacetone alcohol 1002.28
    N,N-dimethylaniline 518.14
    acrylonitrile 583.05
    aniline 822.79
    1,3-propanediol 500.14
    bromobenzene 1151.84
    dibromomethane 3201.92
    1,1,2,2-tetrachloroethane 3231.73
    2-methyl-cyclohexyl acetate 712.54
    tetrabutyl urea 337.85
    diisobutyl methanol 429.52
    2-phenylethanol 525.54
    styrene 682.21
    dioctyl adipate 486.49
    dimethyl sulfate 392.98
    ethyl butyrate 1194.67
    methyl lactate 305.8
    butyl lactate 459.18
    diethyl carbonate 627.89
    propanediol butyl ether 449.24
    triethyl orthoformate 784.95
    p-tert-butyltoluene 275.67
    methyl 4-tert-butylbenzoate 489.28
    morpholine 3705.22
    tert-butylamine 1134.3
    n-dodecanol 167.53
    dimethoxymethane 1518.95
    ethylene carbonate 622.71
    cyrene 402.93
    2-ethoxyethyl acetate 1077.42
    2-ethylhexyl acetate 992.02
    1,2,4-trichlorobenzene 856.64
    4-methylpyridine 1638.38
    dibutyl ether 1227.47
    2,6-dimethyl-4-heptanol 429.52
    DEF 1483.45
    dimethyl isosorbide 993.39
    tetrachloroethylene 2054.52
    eugenol 389.86
    triacetin 750.67
    span 80 497.16
    1,4-butanediol 195.27
    1,1-dichloroethane 2949.39
    2-methyl-1-pentanol 955.65
    methyl formate 219.61
    2-methyl-1-butanol 1224.4
    n-decane 109.59
    butyronitrile 1181.52
    3,7-dimethyl-1-octanol 441.94
    1-chlorooctane 425.57
    1-chlorotetradecane 141.72
    n-nonane 115.4
    undecane 66.95
    tert-butylcyclohexane 211.71
    cyclooctane 295.35
    cyclopentanol 934.35
    tetrahydropyran 5331.18
    tert-amyl methyl ether 1606.37
    2,5,8-trioxanonane 1107.34
    1-hexene 1581.75
    2-isopropoxyethanol 876.94
    2,2,2-trifluoroethanol 89.77
    methyl butyrate 1471.14

    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