Nardofurane

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  • Identifiers

    CAS number
    42438-76-6

    Molecular formula
    C15H22O3

    SMILES
    CC1CCC=C2C1(C3C(C(C2=O)OC3(C)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 52.9%
    Spicy 42.61%
    Mint 32.23%
    Herbal 30.69%
    Sweet 27.59%
    Cedar 26.17%
    Camphoreous 25.64%
    Fresh 25.24%
    Odorless 24.57%
    Tobacco 24.47%

     

    Flavor
    Bitter 75.55%
    Minty 31.01%
    Herbal 23.86%
    Cedarleaf 23.58%
    Ripe apricot 21.47%
    Red fruit 20.99%
    Lovage 20.42%
    Basil 20.12%
    Leaves 19.97%
    Patchouli 19.91%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.12 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    390°C

    Flash point

    • 183.35 ˚C est.

  • Synonyms

    • Nardofurane
    • 42438-76-6
    • RefChem:164840
    • 12-hydroxy-2,3,11,11-tetramethyl-10-oxatricyclo[7.2.1.02,7]dodec-6-en-8-one
    • DTXSID70962489
    • NSC144093
    • NSC-144093
    • 1,4-Methano-3-benzoxepin-5(4H)-one, 1,2,7,8,9,9a-hexahydro-10-hydroxy-2,2,9,9a-tetramethyl-, (1S-(1alpha,4alpha,9alpha,9aalpha,10R*))-
    • 10-hydroxy-2,2,9,9a-tetramethyl-1,2,7,8,9,9a-hexahydro-1,4-methano-3-benzoxepin-5(4H)-one
    • 42438-76-6

  • Applications

    Nardofurane (CAS 42438-76-6) is primarily used as an odorant in fragrance applications, contributing to specific notes in perfumery. It is also employed as a fragrance component in cosmetics and personal care products, and as a fragrance additive in household products such as air fresheners and cleaners. In industrial manufacturing, it may serve as a specialty fragrance ingredient or intermediate in the synthesis of other aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.37
    methanol 37.96
    isopropanol 23.9
    water 1.56
    ethyl acetate 32.27
    n-propanol 24.96
    acetone 40.31
    n-butanol 24.04
    acetonitrile 24.51
    DMF 125.02
    toluene 33.57
    isobutanol 23.02
    1,4-dioxane 77.01
    methyl acetate 36.91
    THF 101.32
    2-butanone 43.54
    n-pentanol 18.89
    sec-butanol 19.11
    n-hexane 1.32
    ethylene glycol 24.71
    NMP 117.63
    cyclohexane 3.64
    DMSO 85.09
    n-butyl acetate 37.18
    n-octanol 21.55
    chloroform 112.82
    n-propyl acetate 26.97
    acetic acid 25.4
    dichloromethane 88.83
    cyclohexanone 87.69
    propylene glycol 18.06
    isopropyl acetate 27.12
    DMAc 96.54
    2-ethoxyethanol 38.28
    isopentanol 22.21
    n-heptane 2.21
    ethyl formate 37.17
    1,2-dichloroethane 53.9
    n-hexanol 34.97
    2-methoxyethanol 70.05
    isobutyl acetate 25.53
    tetrachloromethane 23.19
    n-pentyl acetate 36.0
    transcutol 40.04
    n-heptanol 26.23
    ethylbenzene 21.24
    MIBK 30.53
    2-propoxyethanol 71.38
    tert-butanol 24.75
    MTBE 13.25
    2-butoxyethanol 49.74
    propionic acid 29.05
    o-xylene 27.1
    formic acid 22.95
    diethyl ether 16.44
    m-xylene 31.01
    p-xylene 29.61
    chlorobenzene 47.51
    dimethyl carbonate 34.5
    n-octane 2.03
    formamide 33.88
    cyclopentanone 104.27
    2-pentanone 35.09
    anisole 32.12
    cyclopentyl methyl ether 40.65
    gamma-butyrolactone 114.52
    1-methoxy-2-propanol 55.39
    pyridine 69.12
    3-pentanone 33.36
    furfural 106.83
    n-dodecane 2.71
    diethylene glycol 81.89
    diisopropyl ether 8.35
    tert-amyl alcohol 17.76
    acetylacetone 55.08
    n-hexadecane 3.18
    acetophenone 44.13
    methyl propionate 38.96
    isopentyl acetate 37.64
    trichloroethylene 102.11
    n-nonanol 21.31
    cyclohexanol 32.34
    benzyl alcohol 39.98
    2-ethylhexanol 23.95
    isooctanol 21.4
    dipropyl ether 15.42
    1,2-dichlorobenzene 51.36
    ethyl lactate 32.99
    propylene carbonate 70.9
    n-methylformamide 60.8
    2-pentanol 16.25
    n-pentane 1.77
    1-propoxy-2-propanol 44.45
    1-methoxy-2-propyl acetate 54.66
    2-(2-methoxypropoxy) propanol 44.91
    mesitylene 21.65
    ε-caprolactone 73.09
    p-cymene 22.68
    epichlorohydrin 97.61
    1,1,1-trichloroethane 50.67
    2-aminoethanol 28.05
    morpholine-4-carbaldehyde 123.31
    sulfolane 134.15
    2,2,4-trimethylpentane 1.77
    2-methyltetrahydrofuran 50.71
    n-hexyl acetate 40.04
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 44.03
    sec-butyl acetate 21.37
    tert-butyl acetate 27.36
    decalin 4.52
    glycerin 38.27
    diglyme 72.14
    acrylic acid 35.3
    isopropyl myristate 22.13
    n-butyric acid 35.65
    acetyl acetate 32.77
    di(2-ethylhexyl) phthalate 32.5
    ethyl propionate 28.11
    nitromethane 56.8
    1,2-diethoxyethane 22.38
    benzonitrile 56.2
    trioctyl phosphate 26.75
    1-bromopropane 25.0
    gamma-valerolactone 127.8
    n-decanol 17.22
    triethyl phosphate 25.97
    4-methyl-2-pentanol 15.03
    propionitrile 30.12
    vinylene carbonate 80.52
    1,1,2-trichlorotrifluoroethane 81.54
    DMS 49.77
    cumene 18.75
    2-octanol 18.15
    2-hexanone 28.14
    octyl acetate 27.8
    limonene 23.69
    1,2-dimethoxyethane 53.7
    ethyl orthosilicate 22.51
    tributyl phosphate 25.47
    diacetone alcohol 39.81
    N,N-dimethylaniline 29.07
    acrylonitrile 47.04
    aniline 33.49
    1,3-propanediol 37.49
    bromobenzene 49.53
    dibromomethane 55.09
    1,1,2,2-tetrachloroethane 83.64
    2-methyl-cyclohexyl acetate 38.28
    tetrabutyl urea 36.32
    diisobutyl methanol 15.08
    2-phenylethanol 54.85
    styrene 20.96
    dioctyl adipate 30.91
    dimethyl sulfate 63.23
    ethyl butyrate 29.41
    methyl lactate 42.12
    butyl lactate 35.46
    diethyl carbonate 24.38
    propanediol butyl ether 36.18
    triethyl orthoformate 24.73
    p-tert-butyltoluene 20.96
    methyl 4-tert-butylbenzoate 50.56
    morpholine 66.45
    tert-butylamine 13.09
    n-dodecanol 13.78
    dimethoxymethane 74.63
    ethylene carbonate 66.95
    cyrene 62.67
    2-ethoxyethyl acetate 43.37
    2-ethylhexyl acetate 34.5
    1,2,4-trichlorobenzene 59.45
    4-methylpyridine 63.61
    dibutyl ether 12.3
    2,6-dimethyl-4-heptanol 15.08
    DEF 46.73
    dimethyl isosorbide 75.8
    tetrachloroethylene 61.43
    eugenol 54.9
    triacetin 42.83
    span 80 38.76
    1,4-butanediol 22.31
    1,1-dichloroethane 45.05
    2-methyl-1-pentanol 18.66
    methyl formate 62.64
    2-methyl-1-butanol 20.6
    n-decane 3.84
    butyronitrile 28.53
    3,7-dimethyl-1-octanol 20.39
    1-chlorooctane 14.84
    1-chlorotetradecane 8.31
    n-nonane 3.01
    undecane 3.22
    tert-butylcyclohexane 3.74
    cyclooctane 2.04
    cyclopentanol 38.35
    tetrahydropyran 43.15
    tert-amyl methyl ether 13.71
    2,5,8-trioxanonane 58.65
    1-hexene 5.86
    2-isopropoxyethanol 29.94
    2,2,2-trifluoroethanol 27.58
    methyl butyrate 35.68

    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