4-O-Methylcedrusin

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  • Identifiers

    CAS number
    149340-29-4

    Molecular formula
    C20H24O6

    SMILES
    COC1=C(C=C(C=C1)[C@@H]2[C@H](C3=C(O2)C(=CC(=C3)CCCO)O)CO)OC

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 61.19%
    Sweet 51.53%
    Odorless 40.13%
    Balsamic 37.69%
    Floral 32.85%
    Creamy 32.61%
    Powdery 32.04%
    Spicy 30.8%
    Phenolic 27.72%
    Fruity 25.83%

     

    Flavor
    Bitter 76.36%
    Bland 28.53%
    Odorless 24.44%
    Sweet-like 24.18%
    Parsley 21.81%
    Eugenol 21.1%
    Mild 20.89%
    Ethyl benzoate 20.48%
    Cedarleaf 20.42%
    Lovage 20.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.9 (neutral)

    Molecular weight
    360.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1065°C

    Flash point

    • 214.92 ˚C est.

  • Synonyms

    • 4-O-Methylcedrusin
    • 149340-29-4
    • 2-(3',4'-Dimethoxyphenyl)-3-hydroxymethyl-2,3-dihydro-7-hydroxybenzofuran-5-propan-1-ol
    • (2S,3R)-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-7-ol
    • RefChem:100230
    • 5-Benzofuranpropanol, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-hydroxy-3-(hydroxymethyl)-, (2S-trans)-
    • CHEMBL457819
    • DTXSID60933623
    • 2-(3,4-DIMETHOXYPHENYL)-3-(HYDROXYMETHYL)-5-(3-HYDROXYPROPYL)-2,3-DIHYDRO-1-BENZOFURAN-7-OL
    • 149340-29-4

  • Applications

    4-O-Methylcedrusin (CAS 149340-29-4) is a phenolic lignan associated with cedar species and is primarily considered a fragrance-related material; in practice it may be used as an odorant or fragrance intermediate in perfumery and is evaluated for cosmetic and personal-care formulations as a scent ingredient; it may also serve as a scent component in household cleaning products; in industrial manufacturing it can act as an intermediate for the synthesis of related lignan derivatives and may be explored as a starting material for functionalized lignan-based polymers or resins.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.46
    methanol 33.16
    isopropanol 9.71
    water 1.5
    ethyl acetate 13.11
    n-propanol 10.61
    acetone 32.99
    n-butanol 9.64
    acetonitrile 16.31
    DMF 69.52
    toluene 1.91
    isobutanol 6.92
    1,4-dioxane 24.12
    methyl acetate 12.11
    THF 54.86
    2-butanone 13.14
    n-pentanol 8.81
    sec-butanol 6.59
    n-hexane 0.17
    ethylene glycol 30.73
    NMP 42.7
    cyclohexane 0.5
    DMSO 214.44
    n-butyl acetate 7.46
    n-octanol 8.77
    chloroform 23.56
    n-propyl acetate 8.76
    acetic acid 93.01
    dichloromethane 25.55
    cyclohexanone 26.74
    propylene glycol 16.96
    isopropyl acetate 10.75
    DMAc 79.99
    2-ethoxyethanol 48.9
    isopentanol 10.14
    n-heptane 0.47
    ethyl formate 13.7
    1,2-dichloroethane 17.31
    n-hexanol 8.07
    2-methoxyethanol 71.92
    isobutyl acetate 7.02
    tetrachloromethane 3.07
    n-pentyl acetate 12.15
    transcutol 87.51
    n-heptanol 10.37
    ethylbenzene 1.73
    MIBK 11.52
    2-propoxyethanol 37.95
    tert-butanol 13.56
    MTBE 4.57
    2-butoxyethanol 31.52
    propionic acid 19.25
    o-xylene 2.07
    formic acid 83.71
    diethyl ether 5.36
    m-xylene 2.12
    p-xylene 2.38
    chlorobenzene 4.54
    dimethyl carbonate 22.42
    n-octane 0.52
    formamide 96.06
    cyclopentanone 37.75
    2-pentanone 12.62
    anisole 6.46
    cyclopentyl methyl ether 10.13
    gamma-butyrolactone 48.49
    1-methoxy-2-propanol 44.94
    pyridine 14.41
    3-pentanone 8.86
    furfural 41.74
    n-dodecane 0.6
    diethylene glycol 65.64
    diisopropyl ether 2.17
    tert-amyl alcohol 8.53
    acetylacetone 33.63
    n-hexadecane 0.66
    acetophenone 12.03
    methyl propionate 13.59
    isopentyl acetate 8.66
    trichloroethylene 34.26
    n-nonanol 9.51
    cyclohexanol 9.19
    benzyl alcohol 12.32
    2-ethylhexanol 5.42
    isooctanol 9.23
    dipropyl ether 5.3
    1,2-dichlorobenzene 7.01
    ethyl lactate 16.93
    propylene carbonate 22.86
    n-methylformamide 36.46
    2-pentanol 5.48
    n-pentane 0.2
    1-propoxy-2-propanol 22.16
    1-methoxy-2-propyl acetate 20.02
    2-(2-methoxypropoxy) propanol 31.46
    mesitylene 1.59
    ε-caprolactone 22.98
    p-cymene 2.67
    epichlorohydrin 46.15
    1,1,1-trichloroethane 8.68
    2-aminoethanol 25.37
    morpholine-4-carbaldehyde 54.2
    sulfolane 77.65
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 12.25
    n-hexyl acetate 13.17
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 41.54
    sec-butyl acetate 5.86
    tert-butyl acetate 13.42
    decalin 0.4
    glycerin 61.46
    diglyme 69.47
    acrylic acid 31.07
    isopropyl myristate 6.99
    n-butyric acid 23.43
    acetyl acetate 19.08
    di(2-ethylhexyl) phthalate 10.93
    ethyl propionate 8.03
    nitromethane 122.45
    1,2-diethoxyethane 16.99
    benzonitrile 11.59
    trioctyl phosphate 9.02
    1-bromopropane 4.24
    gamma-valerolactone 58.66
    n-decanol 7.1
    triethyl phosphate 8.86
    4-methyl-2-pentanol 5.46
    propionitrile 10.49
    vinylene carbonate 23.88
    1,1,2-trichlorotrifluoroethane 71.27
    DMS 16.68
    cumene 1.68
    2-octanol 6.61
    2-hexanone 9.51
    octyl acetate 9.27
    limonene 3.31
    1,2-dimethoxyethane 44.4
    ethyl orthosilicate 8.11
    tributyl phosphate 8.99
    diacetone alcohol 27.66
    N,N-dimethylaniline 6.23
    acrylonitrile 18.66
    aniline 6.15
    1,3-propanediol 35.99
    bromobenzene 3.8
    dibromomethane 12.12
    1,1,2,2-tetrachloroethane 26.03
    2-methyl-cyclohexyl acetate 10.48
    tetrabutyl urea 13.55
    diisobutyl methanol 4.29
    2-phenylethanol 13.15
    styrene 1.85
    dioctyl adipate 12.41
    dimethyl sulfate 44.11
    ethyl butyrate 7.77
    methyl lactate 28.34
    butyl lactate 16.78
    diethyl carbonate 7.7
    propanediol butyl ether 28.3
    triethyl orthoformate 8.84
    p-tert-butyltoluene 2.41
    methyl 4-tert-butylbenzoate 21.58
    morpholine 26.69
    tert-butylamine 4.28
    n-dodecanol 5.47
    dimethoxymethane 53.74
    ethylene carbonate 20.36
    cyrene 38.59
    2-ethoxyethyl acetate 22.29
    2-ethylhexyl acetate 6.18
    1,2,4-trichlorobenzene 8.84
    4-methylpyridine 9.36
    dibutyl ether 6.27
    2,6-dimethyl-4-heptanol 4.29
    DEF 19.45
    dimethyl isosorbide 43.99
    tetrachloroethylene 18.96
    eugenol 25.31
    triacetin 25.92
    span 80 23.56
    1,4-butanediol 18.63
    1,1-dichloroethane 8.67
    2-methyl-1-pentanol 8.43
    methyl formate 36.16
    2-methyl-1-butanol 7.94
    n-decane 0.95
    butyronitrile 8.85
    3,7-dimethyl-1-octanol 7.48
    1-chlorooctane 3.79
    1-chlorotetradecane 1.85
    n-nonane 0.77
    undecane 0.72
    tert-butylcyclohexane 0.3
    cyclooctane 0.26
    cyclopentanol 10.7
    tetrahydropyran 10.71
    tert-amyl methyl ether 4.39
    2,5,8-trioxanonane 56.87
    1-hexene 0.84
    2-isopropoxyethanol 28.86
    2,2,2-trifluoroethanol 50.18
    methyl butyrate 10.17

    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