Farnesiferol B

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  • Identifiers

    CAS number
    54990-68-0

    Molecular formula
    C24H30O4

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 43.03%
    Woody 42.69%
    Floral 39.57%
    Fruity 34.8%
    Fresh 32.25%
    Powdery 29.13%
    Balsamic 28.81%
    Spicy 28.31%
    Animal 28.29%
    Amber 28.26%

     

    Flavor
    Bitter 50.8%
    Woody 34.62%
    Herbal 32.61%
    Floral 28.11%
    Spice 27.03%
    Spicy 26.24%
    Balsam 25.46%
    Minty 21.23%
    Warm 20.36%
    Lovage 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.72 (neutral)

    Molecular weight
    382.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    704°C

    Flash point

    • 205.12 ˚C est.

  • Synonyms

    • Farnesiferol B
    • 54990-68-0
    • JJ74M033DI
    • DTXSID001317218
    • 7-[(E)-5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
    • 7-((E)-5-((1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy)chromen-2-one
    • RefChem:36576
    • DTXCID601747039
    • 7-((E)-5-((3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enoxy)chromen-2-one
    • UNII-JJ74M033DI
    • CHEBI:190042
    • Q27281530
    • 2H-1-BENZOPYRAN-2-ONE, 7-(((2E)-5-((1R,3S)-3-HYDROXY-2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-3-METHYL-2-PENTEN-1-YL)OXY)-
    • 2H-1-Benzopyran-2-one, 7-(((2E)-5-((1R,3S)-3-hydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2-pentenyl)oxy)-
    • 2H-1-BENZOPYRAN-2-ONE, 7-((5-(3-HYDROXY-2,2-DIMETHYL-6-METHYLENECYCLOHEXYL)-3-METHYL-2-PENTENYL)OXY)-, (1S-(1.ALPHA.(E),3.ALPHA.))-
    • 7-({(2E)-5-[(1R,3S)-3-Hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-yl}oxy)-2H-1-benzopyran-2-one
    • 54990-68-0

  • Applications

    Farnesiferol B, CAS 54990-68-0, is used in several real-world applications: in fragrance and perfumery as an aroma constituent or odorant; in cosmetics and personal care as a fragrance component; in household and cleaning products to impart or mask scent; and in the chemical/industrial sector as a synthetic intermediate for complex organic syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.95
    methanol 15.37
    isopropanol 6.31
    water 0.0
    ethyl acetate 6.58
    n-propanol 12.06
    acetone 8.12
    n-butanol 11.4
    acetonitrile 1.91
    DMF 15.25
    toluene 9.5
    isobutanol 6.52
    1,4-dioxane 45.39
    methyl acetate 6.19
    THF 117.01
    2-butanone 14.46
    n-pentanol 9.74
    sec-butanol 7.5
    n-hexane 0.12
    ethylene glycol 0.35
    NMP 9.21
    cyclohexane 0.31
    DMSO 19.1
    n-butyl acetate 5.29
    n-octanol 2.42
    chloroform 31.67
    n-propyl acetate 5.23
    acetic acid 10.47
    dichloromethane 30.24
    cyclohexanone 20.88
    propylene glycol 1.39
    isopropyl acetate 6.34
    DMAc 35.34
    2-ethoxyethanol 28.46
    isopentanol 10.31
    n-heptane 0.16
    ethyl formate 3.96
    1,2-dichloroethane 15.11
    n-hexanol 5.63
    2-methoxyethanol 33.67
    isobutyl acetate 4.7
    tetrachloromethane 1.4
    n-pentyl acetate 6.59
    transcutol 170.37
    n-heptanol 3.92
    ethylbenzene 2.63
    MIBK 8.15
    2-propoxyethanol 28.16
    tert-butanol 6.72
    MTBE 8.49
    2-butoxyethanol 18.66
    propionic acid 4.12
    o-xylene 3.66
    formic acid 3.7
    diethyl ether 7.95
    m-xylene 4.45
    p-xylene 3.11
    chlorobenzene 6.4
    dimethyl carbonate 3.29
    n-octane 0.07
    formamide 5.7
    cyclopentanone 19.02
    2-pentanone 10.28
    anisole 12.44
    cyclopentyl methyl ether 14.07
    gamma-butyrolactone 13.82
    1-methoxy-2-propanol 24.89
    pyridine 34.03
    3-pentanone 6.69
    furfural 17.03
    n-dodecane 0.07
    diethylene glycol 9.63
    diisopropyl ether 1.36
    tert-amyl alcohol 7.58
    acetylacetone 12.02
    n-hexadecane 0.08
    acetophenone 9.15
    methyl propionate 5.94
    isopentyl acetate 8.63
    trichloroethylene 34.44
    n-nonanol 3.14
    cyclohexanol 6.61
    benzyl alcohol 11.18
    2-ethylhexanol 3.18
    isooctanol 3.7
    dipropyl ether 4.75
    1,2-dichlorobenzene 5.53
    ethyl lactate 3.0
    propylene carbonate 5.67
    n-methylformamide 5.59
    2-pentanol 4.4
    n-pentane 0.15
    1-propoxy-2-propanol 15.92
    1-methoxy-2-propyl acetate 15.56
    2-(2-methoxypropoxy) propanol 22.24
    mesitylene 1.87
    ε-caprolactone 16.15
    p-cymene 1.65
    epichlorohydrin 53.14
    1,1,1-trichloroethane 5.71
    2-aminoethanol 2.59
    morpholine-4-carbaldehyde 28.46
    sulfolane 14.34
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 28.47
    n-hexyl acetate 7.54
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 36.81
    sec-butyl acetate 4.82
    tert-butyl acetate 9.14
    decalin 0.19
    glycerin 2.88
    diglyme 82.36
    acrylic acid 3.41
    isopropyl myristate 2.71
    n-butyric acid 10.74
    acetyl acetate 4.5
    di(2-ethylhexyl) phthalate 4.37
    ethyl propionate 4.25
    nitromethane 13.38
    1,2-diethoxyethane 27.24
    benzonitrile 5.53
    trioctyl phosphate 2.07
    1-bromopropane 5.83
    gamma-valerolactone 50.18
    n-decanol 1.94
    triethyl phosphate 3.51
    4-methyl-2-pentanol 3.39
    propionitrile 3.3
    vinylene carbonate 6.49
    1,1,2-trichlorotrifluoroethane 20.6
    DMS 5.12
    cumene 1.6
    2-octanol 1.77
    2-hexanone 8.74
    octyl acetate 3.49
    limonene 1.85
    1,2-dimethoxyethane 53.93
    ethyl orthosilicate 4.58
    tributyl phosphate 2.67
    diacetone alcohol 14.69
    N,N-dimethylaniline 7.1
    acrylonitrile 3.87
    aniline 10.83
    1,3-propanediol 9.97
    bromobenzene 5.92
    dibromomethane 13.27
    1,1,2,2-tetrachloroethane 25.56
    2-methyl-cyclohexyl acetate 7.48
    tetrabutyl urea 4.35
    diisobutyl methanol 2.21
    2-phenylethanol 10.22
    styrene 3.09
    dioctyl adipate 5.67
    dimethyl sulfate 4.54
    ethyl butyrate 5.21
    methyl lactate 3.7
    butyl lactate 5.95
    diethyl carbonate 2.99
    propanediol butyl ether 10.87
    triethyl orthoformate 7.14
    p-tert-butyltoluene 1.6
    methyl 4-tert-butylbenzoate 11.46
    morpholine 63.49
    tert-butylamine 2.63
    n-dodecanol 1.19
    dimethoxymethane 27.14
    ethylene carbonate 5.16
    cyrene 14.97
    2-ethoxyethyl acetate 18.32
    2-ethylhexyl acetate 6.01
    1,2,4-trichlorobenzene 7.69
    4-methylpyridine 21.36
    dibutyl ether 4.41
    2,6-dimethyl-4-heptanol 2.21
    DEF 10.1
    dimethyl isosorbide 37.61
    tetrachloroethylene 14.97
    eugenol 13.15
    triacetin 10.34
    span 80 12.98
    1,4-butanediol 2.67
    1,1-dichloroethane 7.4
    2-methyl-1-pentanol 10.03
    methyl formate 3.84
    2-methyl-1-butanol 9.11
    n-decane 0.14
    butyronitrile 4.79
    3,7-dimethyl-1-octanol 3.36
    1-chlorooctane 1.06
    1-chlorotetradecane 0.33
    n-nonane 0.11
    undecane 0.09
    tert-butylcyclohexane 0.18
    cyclooctane 0.1
    cyclopentanol 5.49
    tetrahydropyran 33.76
    tert-amyl methyl ether 5.88
    2,5,8-trioxanonane 48.51
    1-hexene 0.97
    2-isopropoxyethanol 16.55
    2,2,2-trifluoroethanol 1.91
    methyl butyrate 6.04

    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