Farnesiferol C

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  • Identifiers

    CAS number
    512-17-4

    Molecular formula
    C24H30O4

    SMILES
    C/C(=C\COC1=CC2=C(C=C1)C=CC(=O)O2)/CC[C@H]3[C@@]4(CC[C@H](C3(C)C)O4)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 47.08%
    Fruity 41.17%
    Woody 37.26%
    Sweet 37.09%
    Powdery 30.72%
    Fresh 30.44%
    Amber 29.09%
    Animal 28.55%
    Balsamic 28.24%
    Musk 27.09%

     

    Flavor
    Bitter 49.72%
    Woody 31.51%
    Herbal 30.34%
    Balsam 24.32%
    Spice 23.66%
    Floral 20.32%
    Parsley 19.73%
    Heather 19.59%
    Cedarleaf 19.48%
    Lovage 19.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    8.38 (weak base)

    Molecular weight
    382.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    618°C

    Flash point

    • 199.52 ˚C est.

  • Synonyms

    • Farnesiferol C
    • 512-17-4
    • 56P18T724F
    • DTXSID601317173
    • 7-[(E)-3-methyl-5-[(1S,2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-enoxy]chromen-2-one
    • 7-[(E)-3-methyl-5-[(1R,3R,4S)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl]pent-2-enoxy]chromen-2-one
    • 7-((E)-3-methyl-5-((1R,3R,4S)-2,2,4-trimethyl-7-oxabicyclo(2.2.1)heptan-3-yl)pent-2-enoxy)chromen-2-one
    • 7-((E)-3-methyl-5-((1S,2R,4R)-1,3,3-trimethyl-7-oxabicyclo(2.2.1)heptan-2-yl)pent-2-enoxy)chromen-2-one
    • RefChem:36139
    • DTXCID501746995
    • UNII-56P18T724F
    • CHEMBL177697
    • FARNESYLFEROL C
    • orb1700620
    • SCHEMBL31238183
    • AKOS040748343
    • HY-116938
    • Q27261410
    • 2H-1-BENZOPYRAN-2-ONE, 7-(((2E)-3-METHYL-5-((1S,2R,4R)-1,3,3-TRIMETHYL-7-OXABICYCLO(2.2.1)HEPT-2-YL)-2-PENTEN-1-YL)OXY)-
    • 2H-1-BENZOPYRAN-2-ONE, 7-((3-METHYL-5-(1,3,3-TRIMETHYL-7-OXABICYCLO(2.2.1)HEPT-2-YL)-2-PENTENYL)OXY)-, (1S-(1.ALPHA.,2.ALPHA.(E),4.ALPHA.))-
    • 7-(((E)-3-Methyl-5-((1S,2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pent-2-en-1-yl)oxy)-2H-chromen-2-one
    • 7-({(2E)-3-Methyl-5-[(1S,2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-yl}oxy)-2H-1-benzopyran-2-one
    • COUMARIN, 7-((3-METHYL-5-(1.BETA.,3,3-TRIMETHYL-7-OXABICYCLO(2.2.1)HEPT-2.ALPHA.-YL)-2-PENTENYL)OXY)-
    • 512-17-4

  • Applications

    Farnesiferol C (CAS 512-17-4) is a natural product primarily reported from Ferula species; in industry it is typically encountered as a fragrance-related ingredient and fragrance precursor, where it may function as an odorant or component in perfumery and cosmetics, and may be used in household products to impart a natural aroma; it is also valued as a synthetic intermediate or building block in organic synthesis for specialty chemicals; in research and development contexts, Farnesiferol C is studied for potential biological activities and as a lead compound in phytochemical/pharmacognosy investigations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.28
    methanol 18.49
    isopropanol 9.07
    water 0.05
    ethyl acetate 29.84
    n-propanol 19.37
    acetone 26.93
    n-butanol 17.48
    acetonitrile 20.19
    DMF 34.6
    toluene 28.69
    isobutanol 13.45
    1,4-dioxane 106.61
    methyl acetate 28.79
    THF 124.24
    2-butanone 36.78
    n-pentanol 18.66
    sec-butanol 9.31
    n-hexane 0.45
    ethylene glycol 1.71
    NMP 35.74
    cyclohexane 1.47
    DMSO 24.17
    n-butyl acetate 21.56
    n-octanol 7.05
    chloroform 237.64
    n-propyl acetate 26.7
    acetic acid 35.41
    dichloromethane 202.58
    cyclohexanone 58.59
    propylene glycol 3.22
    isopropyl acetate 19.82
    DMAc 59.57
    2-ethoxyethanol 50.51
    isopentanol 16.91
    n-heptane 0.63
    ethyl formate 18.98
    1,2-dichloroethane 64.62
    n-hexanol 13.05
    2-methoxyethanol 49.75
    isobutyl acetate 22.17
    tetrachloromethane 9.72
    n-pentyl acetate 20.45
    transcutol 205.18
    n-heptanol 9.36
    ethylbenzene 9.58
    MIBK 19.66
    2-propoxyethanol 60.38
    tert-butanol 8.46
    MTBE 10.96
    2-butoxyethanol 36.69
    propionic acid 16.91
    o-xylene 10.65
    formic acid 12.79
    diethyl ether 18.22
    m-xylene 15.07
    p-xylene 14.78
    chlorobenzene 38.2
    dimethyl carbonate 15.12
    n-octane 0.29
    formamide 22.01
    cyclopentanone 56.41
    2-pentanone 26.21
    anisole 36.09
    cyclopentyl methyl ether 30.87
    gamma-butyrolactone 58.14
    1-methoxy-2-propanol 34.18
    pyridine 95.21
    3-pentanone 21.64
    furfural 69.05
    n-dodecane 0.35
    diethylene glycol 30.02
    diisopropyl ether 4.14
    tert-amyl alcohol 7.99
    acetylacetone 34.92
    n-hexadecane 0.42
    acetophenone 34.71
    methyl propionate 25.29
    isopentyl acetate 24.38
    trichloroethylene 170.84
    n-nonanol 8.58
    cyclohexanol 14.52
    benzyl alcohol 31.88
    2-ethylhexanol 8.49
    isooctanol 8.63
    dipropyl ether 12.3
    1,2-dichlorobenzene 32.4
    ethyl lactate 12.68
    propylene carbonate 28.93
    n-methylformamide 20.88
    2-pentanol 7.56
    n-pentane 0.49
    1-propoxy-2-propanol 30.52
    1-methoxy-2-propyl acetate 42.49
    2-(2-methoxypropoxy) propanol 41.87
    mesitylene 5.8
    ε-caprolactone 55.44
    p-cymene 5.66
    epichlorohydrin 129.21
    1,1,1-trichloroethane 37.64
    2-aminoethanol 8.24
    morpholine-4-carbaldehyde 81.35
    sulfolane 38.6
    2,2,4-trimethylpentane 0.42
    2-methyltetrahydrofuran 50.48
    n-hexyl acetate 23.69
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 59.25
    sec-butyl acetate 19.0
    tert-butyl acetate 18.88
    decalin 0.87
    glycerin 7.5
    diglyme 132.83
    acrylic acid 16.47
    isopropyl myristate 8.79
    n-butyric acid 30.63
    acetyl acetate 24.56
    di(2-ethylhexyl) phthalate 13.53
    ethyl propionate 19.88
    nitromethane 58.51
    1,2-diethoxyethane 47.57
    benzonitrile 32.58
    trioctyl phosphate 6.92
    1-bromopropane 23.39
    gamma-valerolactone 125.58
    n-decanol 5.59
    triethyl phosphate 11.83
    4-methyl-2-pentanol 6.85
    propionitrile 19.31
    vinylene carbonate 40.79
    1,1,2-trichlorotrifluoroethane 63.24
    DMS 20.61
    cumene 6.32
    2-octanol 4.77
    2-hexanone 27.34
    octyl acetate 11.64
    limonene 5.78
    1,2-dimethoxyethane 89.09
    ethyl orthosilicate 13.02
    tributyl phosphate 9.27
    diacetone alcohol 21.41
    N,N-dimethylaniline 18.84
    acrylonitrile 26.51
    aniline 31.49
    1,3-propanediol 19.21
    bromobenzene 41.75
    dibromomethane 87.25
    1,1,2,2-tetrachloroethane 104.16
    2-methyl-cyclohexyl acetate 24.48
    tetrabutyl urea 12.7
    diisobutyl methanol 4.91
    2-phenylethanol 29.92
    styrene 12.08
    dioctyl adipate 17.88
    dimethyl sulfate 16.44
    ethyl butyrate 20.53
    methyl lactate 12.25
    butyl lactate 16.4
    diethyl carbonate 14.52
    propanediol butyl ether 20.91
    triethyl orthoformate 20.57
    p-tert-butyltoluene 4.88
    methyl 4-tert-butylbenzoate 27.76
    morpholine 104.5
    tert-butylamine 4.12
    n-dodecanol 3.75
    dimethoxymethane 49.72
    ethylene carbonate 33.28
    cyrene 37.21
    2-ethoxyethyl acetate 46.77
    2-ethylhexyl acetate 19.76
    1,2,4-trichlorobenzene 41.24
    4-methylpyridine 64.6
    dibutyl ether 10.86
    2,6-dimethyl-4-heptanol 4.91
    DEF 28.27
    dimethyl isosorbide 70.79
    tetrachloroethylene 63.86
    eugenol 32.14
    triacetin 34.29
    span 80 26.22
    1,4-butanediol 8.4
    1,1-dichloroethane 42.41
    2-methyl-1-pentanol 18.08
    methyl formate 16.29
    2-methyl-1-butanol 14.86
    n-decane 0.69
    butyronitrile 20.61
    3,7-dimethyl-1-octanol 8.16
    1-chlorooctane 4.1
    1-chlorotetradecane 1.51
    n-nonane 0.49
    undecane 0.47
    tert-butylcyclohexane 0.7
    cyclooctane 0.47
    cyclopentanol 13.93
    tetrahydropyran 62.06
    tert-amyl methyl ether 8.48
    2,5,8-trioxanonane 83.18
    1-hexene 3.1
    2-isopropoxyethanol 35.94
    2,2,2-trifluoroethanol 13.78
    methyl butyrate 25.94

    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