Ferulenol

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  • Identifiers

    CAS number
    6805-34-1

    Molecular formula
    C24H30O3

    SMILES
    CC(=CCC/C(=C/CC/C(=C/CC1=C(C2=CC=CC=C2OC1=O)O)/C)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 54.16%
    Floral 51.69%
    Balsamic 34.79%
    Sweet 33.6%
    Woody 32.11%
    Waxy 31.42%
    Citrus 28.95%
    Fresh 28.86%
    Spicy 28.48%
    Herbal 26.52%

     

    Flavor
    Herbal 35.61%
    Woody 35.07%
    Bitter 29.56%
    Wood 27.83%
    Balsam 26.76%
    Spicy 26.75%
    Spice 25.69%
    Diterpene 21.44%
    Warm 21.36%
    Low 20.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    8.97 (weak base)

    Molecular weight
    366.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    658°C

    Flash point

    • 197.62 ˚C est.

  • Synonyms

    • Ferulenol
    • 6805-34-1
    • NSC-655150
    • TG6L57MGV9
    • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
    • RefChem:921582
    • NSC655150
    • 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
    • CHEMBL174839
    • 2-hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-4-one
    • 4-Hydroxy-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-2H-chromen-2-one
    • 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
    • NSC 655150
    • CHEMBL268393
    • SCHEMBL5309688
    • SCHEMBL29699624
    • HMS6018O18
    • BDBM50143436
    • HB3895
    • MFCD02183471
    • AKOS040733154
    • 4-Hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2H-1-benzopyran-2-one
    • SMP2_000037
    • HY-129605
    • CS-0106876
    • G13114
    • AO-257/21225008
    • Coumarin, 4-hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
    • 4-Hydroxy-3-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-chromen-2-one
    • 4-Hydroxy-3-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)-2H-1-benzopyran-2-one
    • 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]-2H-chromen-2-one
    • 2H-1-Benzopyran-2-one, 4-hydroxy-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-
    • 6805-34-1

  • Applications

    Ferulenol (CAS 6805-34-1) is a natural product that may find practical applications as an odorant in fragrance and as a precursor for aroma development in flavor systems; it may be used in cosmetics and personal care as a fragrance ingredient or functional additive; it can serve as an organic synthesis intermediate for pharmaceutical research and materials development in industrial manufacturing; in coatings and inks, it can act as an intermediate or processing aid; and it is being evaluated for potential biological activity that could support crop protection or other agricultural applications, with actual use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.38
    methanol 9.88
    isopropanol 6.07
    water 0.0
    ethyl acetate 19.35
    n-propanol 13.23
    acetone 20.49
    n-butanol 13.27
    acetonitrile 4.38
    DMF 36.62
    toluene 30.41
    isobutanol 9.79
    1,4-dioxane 51.33
    methyl acetate 20.95
    THF 168.88
    2-butanone 45.77
    n-pentanol 13.6
    sec-butanol 12.24
    n-hexane 0.74
    ethylene glycol 0.34
    NMP 62.26
    cyclohexane 1.17
    DMSO 24.35
    n-butyl acetate 18.89
    n-octanol 5.27
    chloroform 94.9
    n-propyl acetate 20.57
    acetic acid 13.72
    dichloromethane 116.51
    cyclohexanone 63.54
    propylene glycol 1.59
    isopropyl acetate 14.72
    DMAc 101.0
    2-ethoxyethanol 22.52
    isopentanol 13.71
    n-heptane 0.59
    ethyl formate 8.0
    1,2-dichloroethane 59.06
    n-hexanol 10.47
    2-methoxyethanol 25.57
    isobutyl acetate 16.68
    tetrachloromethane 4.33
    n-pentyl acetate 21.23
    transcutol 148.93
    n-heptanol 8.19
    ethylbenzene 10.93
    MIBK 19.13
    2-propoxyethanol 30.29
    tert-butanol 9.22
    MTBE 19.35
    2-butoxyethanol 25.62
    propionic acid 10.73
    o-xylene 11.71
    formic acid 2.79
    diethyl ether 17.79
    m-xylene 12.71
    p-xylene 15.41
    chlorobenzene 26.95
    dimethyl carbonate 8.74
    n-octane 0.31
    formamide 6.53
    cyclopentanone 71.79
    2-pentanone 27.68
    anisole 27.8
    cyclopentyl methyl ether 37.96
    gamma-butyrolactone 56.71
    1-methoxy-2-propanol 21.72
    pyridine 80.1
    3-pentanone 26.53
    furfural 42.26
    n-dodecane 0.27
    diethylene glycol 7.75
    diisopropyl ether 3.61
    tert-amyl alcohol 13.97
    acetylacetone 29.61
    n-hexadecane 0.32
    acetophenone 27.61
    methyl propionate 20.95
    isopentyl acetate 23.76
    trichloroethylene 133.68
    n-nonanol 6.6
    cyclohexanol 12.31
    benzyl alcohol 18.68
    2-ethylhexanol 8.4
    isooctanol 8.38
    dipropyl ether 11.95
    1,2-dichlorobenzene 21.03
    ethyl lactate 7.32
    propylene carbonate 21.09
    n-methylformamide 10.23
    2-pentanol 7.73
    n-pentane 0.5
    1-propoxy-2-propanol 22.27
    1-methoxy-2-propyl acetate 29.54
    2-(2-methoxypropoxy) propanol 30.66
    mesitylene 5.1
    ε-caprolactone 51.35
    p-cymene 6.06
    epichlorohydrin 130.88
    1,1,1-trichloroethane 27.18
    2-aminoethanol 2.42
    morpholine-4-carbaldehyde 58.69
    sulfolane 59.68
    2,2,4-trimethylpentane 0.66
    2-methyltetrahydrofuran 73.22
    n-hexyl acetate 21.86
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 39.64
    sec-butyl acetate 17.79
    tert-butyl acetate 20.64
    decalin 1.07
    glycerin 2.68
    diglyme 84.43
    acrylic acid 8.45
    isopropyl myristate 7.5
    n-butyric acid 19.73
    acetyl acetate 11.03
    di(2-ethylhexyl) phthalate 10.68
    ethyl propionate 15.61
    nitromethane 23.75
    1,2-diethoxyethane 40.66
    benzonitrile 13.92
    trioctyl phosphate 5.47
    1-bromopropane 26.16
    gamma-valerolactone 104.68
    n-decanol 4.19
    triethyl phosphate 9.08
    4-methyl-2-pentanol 5.81
    propionitrile 8.36
    vinylene carbonate 19.11
    1,1,2-trichlorotrifluoroethane 40.2
    DMS 17.18
    cumene 7.06
    2-octanol 4.98
    2-hexanone 28.17
    octyl acetate 9.86
    limonene 7.51
    1,2-dimethoxyethane 55.34
    ethyl orthosilicate 10.69
    tributyl phosphate 6.74
    diacetone alcohol 24.35
    N,N-dimethylaniline 18.52
    acrylonitrile 9.06
    aniline 24.15
    1,3-propanediol 6.47
    bromobenzene 28.84
    dibromomethane 52.15
    1,1,2,2-tetrachloroethane 95.15
    2-methyl-cyclohexyl acetate 22.49
    tetrabutyl urea 11.17
    diisobutyl methanol 5.27
    2-phenylethanol 21.25
    styrene 12.77
    dioctyl adipate 16.47
    dimethyl sulfate 13.16
    ethyl butyrate 15.28
    methyl lactate 7.03
    butyl lactate 14.71
    diethyl carbonate 8.66
    propanediol butyl ether 14.98
    triethyl orthoformate 15.58
    p-tert-butyltoluene 5.7
    methyl 4-tert-butylbenzoate 26.31
    morpholine 81.35
    tert-butylamine 4.78
    n-dodecanol 2.79
    dimethoxymethane 34.41
    ethylene carbonate 14.59
    cyrene 29.53
    2-ethoxyethyl acetate 38.45
    2-ethylhexyl acetate 20.13
    1,2,4-trichlorobenzene 32.36
    4-methylpyridine 59.68
    dibutyl ether 10.48
    2,6-dimethyl-4-heptanol 5.27
    DEF 31.37
    dimethyl isosorbide 67.92
    tetrachloroethylene 43.8
    eugenol 25.61
    triacetin 25.15
    span 80 23.91
    1,4-butanediol 2.3
    1,1-dichloroethane 32.79
    2-methyl-1-pentanol 18.85
    methyl formate 7.37
    2-methyl-1-butanol 15.59
    n-decane 0.57
    butyronitrile 9.72
    3,7-dimethyl-1-octanol 6.98
    1-chlorooctane 4.06
    1-chlorotetradecane 1.32
    n-nonane 0.42
    undecane 0.37
    tert-butylcyclohexane 1.0
    cyclooctane 0.34
    cyclopentanol 12.99
    tetrahydropyran 61.53
    tert-amyl methyl ether 16.81
    2,5,8-trioxanonane 54.16
    1-hexene 5.61
    2-isopropoxyethanol 20.43
    2,2,2-trifluoroethanol 2.8
    methyl butyrate 22.29

    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