Sylvatesmin

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  • Identifiers

    CAS number
    487-39-8

    Molecular formula
    C21H24O6

    SMILES
    COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 76.04%
    Sweet 63.18%
    Spicy 47.71%
    Creamy 44.37%
    Powdery 42.14%
    Phenolic 41.75%
    Balsamic 40.84%
    Floral 39.98%
    Smoky 33.54%
    Aromatic 29.83%

     

    Flavor
    Bitter 86.5%
    Sweet-like 21.81%
    Bland 21.65%
    Parsley 21.33%
    Naphthalic 20.8%
    Eugenol 20.64%
    Cedarleaf 20.58%
    Lovage 19.56%
    Ripe apricot 19.1%
    Patchouli 18.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.67 (neutral)

    Molecular weight
    372.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    665°C

    Flash point

    • 211.22 ˚C est.

  • Synonyms

    • PHILLYGENIN
    • Sylvatesmin
    • 886IAL08GN
    • 4-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
    • 4-((3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-2-methoxyphenol
    • RefChem:932444
    • 487-39-8
    • (+)-SYLVATESMIN
    • Phillygenol
    • Forsythigenol
    • (+)-Phillygenin
    • Epipinoresinol methyl ether
    • 4-((1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl)-2-methoxyphenol
    • 4-[(1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol
    • forsythigenin
    • UNII-886IAL08GN
    • Pillygenol
    • MFCD01075148
    • PHILLYRIN AGLYCONE
    • Phillygenol; Epipinoresinol methyl ether; (+)-Phillygenin
    • MEGxp0_000876
    • orb1303403
    • CHEMBL2260010
    • SCHEMBL10052265
    • SCHEMBL29437882
    • ACon1_001142
    • (+)-MONOMETHYLPINORESINOL
    • DTXSID80197588
    • WLZ4669
    • CPJKKWDCUOOTEW-YJPXFSGGSA-N
    • HMS6019D03
    • HY-N0483
    • MSK156858
    • s9187
    • AKOS030524964
    • CCG-268325
    • CS-5705
    • EBC-511200
    • FS65798
    • NCGC00169636-01
    • 4-[(1S,3AR,4R,6AR)-4-(3,4-DIMETHOXYPHENYL)-HEXAHYDROFURO[3,4-C]FURAN-1-YL]-2-METHOXYPHENOL
    • AC-34423
    • AS-56623
    • DA-76821
    • C22586
    • AO-228/21245002
    • BRD-K69431605-001-01-7
    • Q27269895
    • PhillygeninForsythigenol; Phillygenol; Epipinoresinol methyl ether
    • 4-((1S,3aR,4R,6aR)-4-(3,4-dimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)-2-methoxyphenol
    • 4-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
    • PHENOL, 4-((1S,3AR,4R,6AR)-4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXY-
    • Phenol, 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxy-, (1S-(1alpha,3aalpha,4beta,6aalpha))-
    • 487-39-8

  • Applications

    Sylvatesmin (CAS 487-39-8) is used as a processing ingredient in multiple industrial formulations, where it may function as a solvent and as an intermediate in chemical synthesis; it can act as a stabilizer or plasticizer in polymer formulations or coatings; it is sometimes evaluated as a fragrance-related fixative or odorant component in perfumery and cosmetics; it may serve as an additive in coatings, inks, and related formulations to adjust solvency and viscosity; and it can appear in cleaning and household product formulations as a solvent or formulation aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.84
    methanol 7.87
    isopropanol 4.75
    water 1.13
    ethyl acetate 35.08
    n-propanol 5.48
    acetone 36.79
    n-butanol 5.55
    acetonitrile 34.85
    DMF 61.67
    toluene 7.41
    isobutanol 4.77
    1,4-dioxane 40.98
    methyl acetate 29.85
    THF 92.1
    2-butanone 21.19
    n-pentanol 5.44
    sec-butanol 4.47
    n-hexane 0.44
    ethylene glycol 7.39
    NMP 51.47
    cyclohexane 1.19
    DMSO 95.61
    n-butyl acetate 15.28
    n-octanol 6.28
    chloroform 187.77
    n-propyl acetate 18.69
    acetic acid 79.06
    dichloromethane 182.4
    cyclohexanone 40.13
    propylene glycol 3.48
    isopropyl acetate 26.48
    DMAc 90.37
    2-ethoxyethanol 33.86
    isopentanol 7.41
    n-heptane 1.1
    ethyl formate 21.1
    1,2-dichloroethane 70.34
    n-hexanol 6.3
    2-methoxyethanol 40.04
    isobutyl acetate 14.19
    tetrachloromethane 15.63
    n-pentyl acetate 16.17
    transcutol 67.92
    n-heptanol 7.43
    ethylbenzene 4.28
    MIBK 20.22
    2-propoxyethanol 33.53
    tert-butanol 8.77
    MTBE 10.45
    2-butoxyethanol 26.49
    propionic acid 21.68
    o-xylene 6.02
    formic acid 46.95
    diethyl ether 13.55
    m-xylene 6.5
    p-xylene 5.39
    chlorobenzene 17.27
    dimethyl carbonate 49.82
    n-octane 0.69
    formamide 75.15
    cyclopentanone 63.78
    2-pentanone 22.19
    anisole 14.87
    cyclopentyl methyl ether 25.31
    gamma-butyrolactone 96.57
    1-methoxy-2-propanol 29.48
    pyridine 31.35
    3-pentanone 21.72
    furfural 78.51
    n-dodecane 0.66
    diethylene glycol 35.48
    diisopropyl ether 5.97
    tert-amyl alcohol 7.41
    acetylacetone 63.9
    n-hexadecane 0.76
    acetophenone 23.43
    methyl propionate 32.73
    isopentyl acetate 17.64
    trichloroethylene 191.5
    n-nonanol 7.43
    cyclohexanol 9.22
    benzyl alcohol 13.72
    2-ethylhexanol 6.03
    isooctanol 7.4
    dipropyl ether 11.14
    1,2-dichlorobenzene 26.75
    ethyl lactate 19.03
    propylene carbonate 45.82
    n-methylformamide 32.65
    2-pentanol 4.8
    n-pentane 0.53
    1-propoxy-2-propanol 21.47
    1-methoxy-2-propyl acetate 37.19
    2-(2-methoxypropoxy) propanol 28.44
    mesitylene 4.42
    ε-caprolactone 40.69
    p-cymene 5.78
    epichlorohydrin 122.18
    1,1,1-trichloroethane 55.68
    2-aminoethanol 8.03
    morpholine-4-carbaldehyde 74.38
    sulfolane 99.27
    2,2,4-trimethylpentane 0.69
    2-methyltetrahydrofuran 26.57
    n-hexyl acetate 16.96
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 30.28
    sec-butyl acetate 14.52
    tert-butyl acetate 30.21
    decalin 0.95
    glycerin 16.5
    diglyme 79.63
    acrylic acid 33.17
    isopropyl myristate 8.86
    n-butyric acid 28.61
    acetyl acetate 57.87
    di(2-ethylhexyl) phthalate 11.3
    ethyl propionate 22.55
    nitromethane 189.56
    1,2-diethoxyethane 21.65
    benzonitrile 18.8
    trioctyl phosphate 8.3
    1-bromopropane 14.16
    gamma-valerolactone 85.67
    n-decanol 5.34
    triethyl phosphate 18.23
    4-methyl-2-pentanol 5.52
    propionitrile 18.58
    vinylene carbonate 55.83
    1,1,2-trichlorotrifluoroethane 109.59
    DMS 28.78
    cumene 3.69
    2-octanol 5.07
    2-hexanone 14.22
    octyl acetate 10.53
    limonene 6.7
    1,2-dimethoxyethane 51.43
    ethyl orthosilicate 16.13
    tributyl phosphate 10.44
    diacetone alcohol 30.16
    N,N-dimethylaniline 11.61
    acrylonitrile 37.0
    aniline 12.31
    1,3-propanediol 13.89
    bromobenzene 19.46
    dibromomethane 73.39
    1,1,2,2-tetrachloroethane 110.2
    2-methyl-cyclohexyl acetate 18.86
    tetrabutyl urea 13.74
    diisobutyl methanol 5.63
    2-phenylethanol 15.52
    styrene 4.88
    dioctyl adipate 16.41
    dimethyl sulfate 82.03
    ethyl butyrate 19.59
    methyl lactate 26.62
    butyl lactate 17.07
    diethyl carbonate 19.65
    propanediol butyl ether 15.57
    triethyl orthoformate 19.34
    p-tert-butyltoluene 5.35
    methyl 4-tert-butylbenzoate 29.74
    morpholine 38.61
    tert-butylamine 4.17
    n-dodecanol 3.98
    dimethoxymethane 64.6
    ethylene carbonate 44.22
    cyrene 37.77
    2-ethoxyethyl acetate 30.41
    2-ethylhexyl acetate 13.5
    1,2,4-trichlorobenzene 31.56
    4-methylpyridine 20.12
    dibutyl ether 8.07
    2,6-dimethyl-4-heptanol 5.63
    DEF 36.66
    dimethyl isosorbide 58.89
    tetrachloroethylene 72.61
    eugenol 28.49
    triacetin 37.78
    span 80 18.23
    1,4-butanediol 7.09
    1,1-dichloroethane 44.13
    2-methyl-1-pentanol 6.35
    methyl formate 36.86
    2-methyl-1-butanol 5.88
    n-decane 1.16
    butyronitrile 13.51
    3,7-dimethyl-1-octanol 6.97
    1-chlorooctane 4.63
    1-chlorotetradecane 2.12
    n-nonane 0.94
    undecane 0.84
    tert-butylcyclohexane 0.76
    cyclooctane 0.73
    cyclopentanol 10.2
    tetrahydropyran 20.97
    tert-amyl methyl ether 10.02
    2,5,8-trioxanonane 55.06
    1-hexene 1.67
    2-isopropoxyethanol 24.55
    2,2,2-trifluoroethanol 67.93
    methyl butyrate 23.24

    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