Farnesiferol A

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  • Identifiers

    CAS number
    511-33-1

    Molecular formula
    C24H30O4

    SMILES
    C[C@@]12CC[C@H](C([C@H]1CCC(=C)[C@@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 48.36%
    Sweet 36.65%
    Balsamic 33.09%
    Amber 32.65%
    Animal 32.07%
    Spicy 31.43%
    Herbal 30.72%
    Dry 28.35%
    Fresh 26.41%
    Musk 25.57%

     

    Flavor
    Bitter 71.52%
    Woody 29.05%
    Balsam 26.78%
    Herbal 25.48%
    Sweet 23.22%
    Minty 22.78%
    Spicy 21.8%
    Cedarleaf 21.05%
    Ripe apricot 20.38%
    Parsley 20.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.7 (neutral)

    Molecular weight
    382.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    806°C

    Flash point

    • 203.21 ˚C est.

  • Synonyms

    • Farnesiferol A
    • 511-33-1
    • 8YC9944MPJ
    • DTXSID00199105
    • 7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
    • 7-(((1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy)chromen-2-one
    • RefChem:36568
    • DTXCID90121596
    • UNII-8YC9944MPJ
    • ISOBADRAKEMIN
    • 7-(((1S,4AS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)methoxy)-2H-chromen-2-one
    • orb1991942
    • CHEMBL1078138
    • SCHEMBL12362728
    • Farnesiferol A, >=85% (NMR)
    • AKOS040734812
    • NS00096996
    • Q27271205
    • 2H-1-BENZOPYRAN-2-ONE, 7-(((1S,4AS,6R,8AR)-DECAHYDRO-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHOXY)-
    • 2H-1-BENZOPYRAN-2-ONE, 7-((DECAHYDRO-6-HYDROXY-5,5,8A-TRIMETHYL-2-METHYLENE-1-NAPHTHALENYL)METHOXY)-, (1S-(1.ALPHA.,4A.ALPHA.,6.BETA.,8A.BETA.))-
    • 7-{[(1S,4aS,6R,8aR)-6-Hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]methoxy}-2H-1-benzopyran-2-one
    • COUMARIN, 7-((1,2,3,4,4A.BETA.,5,6,7,8,8A-DECAHYDRO-6.ALPHA.-HYDROXY-5,5,8A.ALPHA.-TRIMETHYL-2-METHYLENE-1-NAPHTHYL)METHOXY)-
    • NCGC00385155-01!7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
    • 511-33-1

  • Applications

    Farnesiferol A (CAS 511-33-1) is a natural sesquiterpene isolated from Ferula species; in industry it is typically evaluated for fragrance and aroma applications as a natural odorant and may be used as a component in perfumery and cosmetics, and it may be considered for flavor formulation in specialized applications. It can also serve as an intermediate or building block in the synthesis of sesquiterpene derivatives for research and development in chemical and pharmaceutical contexts, and its presence may be noted in formulations for household products and cleaners as a fragrance contributor; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.88
    methanol 11.47
    isopropanol 5.12
    water 0.01
    ethyl acetate 4.95
    n-propanol 9.07
    acetone 9.56
    n-butanol 6.4
    acetonitrile 2.94
    DMF 33.12
    toluene 7.43
    isobutanol 5.12
    1,4-dioxane 31.11
    methyl acetate 5.75
    THF 92.02
    2-butanone 11.0
    n-pentanol 4.87
    sec-butanol 3.37
    n-hexane 0.08
    ethylene glycol 0.78
    NMP 16.71
    cyclohexane 0.17
    DMSO 24.59
    n-butyl acetate 5.23
    n-octanol 1.83
    chloroform 32.51
    n-propyl acetate 4.63
    acetic acid 11.39
    dichloromethane 28.99
    cyclohexanone 18.9
    propylene glycol 1.28
    isopropyl acetate 4.98
    DMAc 35.03
    2-ethoxyethanol 17.48
    isopentanol 5.53
    n-heptane 0.14
    ethyl formate 4.06
    1,2-dichloroethane 13.45
    n-hexanol 4.61
    2-methoxyethanol 29.16
    isobutyl acetate 4.36
    tetrachloromethane 1.61
    n-pentyl acetate 6.22
    transcutol 80.04
    n-heptanol 3.43
    ethylbenzene 1.9
    MIBK 7.23
    2-propoxyethanol 28.68
    tert-butanol 4.36
    MTBE 3.41
    2-butoxyethanol 15.83
    propionic acid 4.2
    o-xylene 2.81
    formic acid 5.05
    diethyl ether 4.11
    m-xylene 4.05
    p-xylene 2.68
    chlorobenzene 7.98
    dimethyl carbonate 5.31
    n-octane 0.07
    formamide 8.08
    cyclopentanone 26.14
    2-pentanone 8.09
    anisole 8.41
    cyclopentyl methyl ether 11.57
    gamma-butyrolactone 21.95
    1-methoxy-2-propanol 22.55
    pyridine 28.39
    3-pentanone 5.5
    furfural 25.95
    n-dodecane 0.05
    diethylene glycol 15.76
    diisopropyl ether 1.02
    tert-amyl alcohol 2.87
    acetylacetone 13.29
    n-hexadecane 0.06
    acetophenone 8.57
    methyl propionate 6.17
    isopentyl acetate 7.27
    trichloroethylene 37.58
    n-nonanol 2.35
    cyclohexanol 4.03
    benzyl alcohol 9.0
    2-ethylhexanol 2.55
    isooctanol 3.11
    dipropyl ether 3.64
    1,2-dichlorobenzene 6.67
    ethyl lactate 3.67
    propylene carbonate 7.89
    n-methylformamide 10.87
    2-pentanol 2.4
    n-pentane 0.09
    1-propoxy-2-propanol 15.55
    1-methoxy-2-propyl acetate 15.32
    2-(2-methoxypropoxy) propanol 14.01
    mesitylene 1.72
    ε-caprolactone 14.36
    p-cymene 1.66
    epichlorohydrin 49.41
    1,1,1-trichloroethane 6.44
    2-aminoethanol 3.58
    morpholine-4-carbaldehyde 38.67
    sulfolane 24.06
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 16.14
    n-hexyl acetate 6.2
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 20.96
    sec-butyl acetate 3.47
    tert-butyl acetate 6.79
    decalin 0.14
    glycerin 3.71
    diglyme 48.5
    acrylic acid 4.67
    isopropyl myristate 2.27
    n-butyric acid 8.06
    acetyl acetate 4.76
    di(2-ethylhexyl) phthalate 4.33
    ethyl propionate 3.73
    nitromethane 18.15
    1,2-diethoxyethane 14.45
    benzonitrile 6.91
    trioctyl phosphate 2.34
    1-bromopropane 4.38
    gamma-valerolactone 54.12
    n-decanol 1.43
    triethyl phosphate 3.54
    4-methyl-2-pentanol 2.23
    propionitrile 3.93
    vinylene carbonate 9.98
    1,1,2-trichlorotrifluoroethane 22.9
    DMS 6.86
    cumene 1.34
    2-octanol 1.54
    2-hexanone 6.91
    octyl acetate 2.99
    limonene 1.73
    1,2-dimethoxyethane 35.15
    ethyl orthosilicate 3.98
    tributyl phosphate 2.72
    diacetone alcohol 12.33
    N,N-dimethylaniline 5.37
    acrylonitrile 6.14
    aniline 9.67
    1,3-propanediol 10.04
    bromobenzene 7.15
    dibromomethane 12.08
    1,1,2,2-tetrachloroethane 23.62
    2-methyl-cyclohexyl acetate 6.54
    tetrabutyl urea 4.41
    diisobutyl methanol 1.8
    2-phenylethanol 10.02
    styrene 2.24
    dioctyl adipate 4.73
    dimethyl sulfate 8.74
    ethyl butyrate 4.7
    methyl lactate 5.51
    butyl lactate 6.51
    diethyl carbonate 3.08
    propanediol butyl ether 9.04
    triethyl orthoformate 5.62
    p-tert-butyltoluene 1.53
    methyl 4-tert-butylbenzoate 10.66
    morpholine 39.1
    tert-butylamine 1.6
    n-dodecanol 0.89
    dimethoxymethane 32.65
    ethylene carbonate 7.73
    cyrene 14.96
    2-ethoxyethyl acetate 15.18
    2-ethylhexyl acetate 5.19
    1,2,4-trichlorobenzene 9.4
    4-methylpyridine 18.42
    dibutyl ether 2.57
    2,6-dimethyl-4-heptanol 1.8
    DEF 8.82
    dimethyl isosorbide 31.14
    tetrachloroethylene 13.87
    eugenol 12.59
    triacetin 10.15
    span 80 9.44
    1,4-butanediol 2.93
    1,1-dichloroethane 7.67
    2-methyl-1-pentanol 4.04
    methyl formate 8.21
    2-methyl-1-butanol 4.27
    n-decane 0.12
    butyronitrile 4.31
    3,7-dimethyl-1-octanol 2.31
    1-chlorooctane 0.87
    1-chlorotetradecane 0.27
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.13
    cyclooctane 0.07
    cyclopentanol 5.02
    tetrahydropyran 17.15
    tert-amyl methyl ether 2.42
    2,5,8-trioxanonane 27.89
    1-hexene 0.55
    2-isopropoxyethanol 10.99
    2,2,2-trifluoroethanol 3.73
    methyl butyrate 5.45

    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